CAS
91361-07-8 Purity
---
91361-07-8 Purity
---
![1-Butyl-2-(2-[3-[2-(1-butyl-1H-benzo[cd]indol-2-ylidene)ethylidene]-2-phenylcyclopent-1-enyl]vinyl)benzo[cd]indolium tetrafluoroborate](https://resource.alfa-chemistry.com/structure/913627-83-5.gif)
![1-Butyl-2-(2-[3-[2-(1-butyl-1H-benzo[cd]indol-2-ylidene)ethylidene]-2-chloro-cyclohex-1-enyl]vinyl)benzo[cd]indolium tetrafluoroborate](https://resource.alfa-chemistry.com/structure/913633-67-7.gif)
Inquiry Basket
Methanone,[(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)-1-cyclohexen-1-yl][5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-
CAS
913623-69-5
Catalog Number
ACM913623695
Category
Other Products
Molecular Weight
445.361599 [g/mol]
Molecular Formula
C19H17F6N5O
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
Synonyms
(1s,6r)-3-{[3-(Trifluoromethyl)-5,6-Dihydro[1,2,4]triazolo[4,3-A]pyrazin-7(8h)-Yl]carbonyl}-6-(2,4,5-Trifluorophenyl)cyclohex-3-En-1-Amine, DB08044, KB-78367, LS-193167, (1S,6R)-3-[3-(trifluoromethyl)-5H,6H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine, 913623-69-5, KIQ, Methanone,[(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)-1-cyclohexen-1-yl][5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-
IUPAC Name
[(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Canonical SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C3=CCC(C(C3)N)C4=CC(=C(C=C4F)F)F
InChI Key
NVVSPGQEXMJZIR-BMIGLBTASA-N
Exact Mass
445.13400
H-Bond Acceptor
10
H-Bond Donor
1
What is the molecular formula of Methanone?
The molecular formula of Methanone is C19H17F6N5O.
What is the molecular weight of Methanone?
The molecular weight of Methanone is 445.4 g/mol.
What are some synonyms for Methanone?
Some synonyms for Methanone are ABT-341 and [(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)-1-cyclohexen-1-yl][5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl].
When was Methanone created and modified?
Methanone was created on January 3, 2007, and last modified on December 30, 2023.
What is the IUPAC name of Methanone?
The IUPAC name of Methanone is [(4R,5S)-5-amino-4-(2,4,5-trifluorophenyl)cyclohexen-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the InChI of Methanone?
The InChI of Methanone is InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m1/s1.
What is the InChIKey of Methanone?
The InChIKey of Methanone is NVVSPGQEXMJZIR-BMIGLBTASA-N.
What is the Canonical SMILES of Methanone?
The Canonical SMILES of Methanone is C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C3=CCC(C(C3)N)C4=CC(=C(C=C4F)F)F.
What is the exact mass of Methanone?
The exact mass of Methanone is 445.13372916 g/mol.
How many hydrogen bond acceptor counts does Methanone have?
Methanone has 10 hydrogen bond acceptor counts.
Recommended Products
![Bis-(2,4-di-tert-butylphenyl)[1,1-biphenyl]-4-ylphosphonite](https://resource.alfa-chemistry.com/structure/91362-37-7.gif)
CAS
91362-37-7 Purity
96%
91362-37-7 Purity
96%
