CAS
921193-74-0 Purity
96%
921193-74-0 Purity
96%
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3-(4-Morpholinylcarbonyl)-1H-1,2,4-triazol-5-amine
CAS
921225-11-8
Catalog Number
ACM921225118
Category
Other Products
Molecular Weight
197.194540 [g/mol]
Molecular Formula
C7H11N5O2
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Specification
Synonyms
921225-11-8, Ambcb4022576, CTK3G1945, MolPort-014-782-056, ZINC42383666, AKOS012102694, MCULE-7550627871, AK118249, (5-Amino-1H-1,2,4-triazol-3-yl)(morpholino)methanone, 3-(MORPHOLIN-4-YLCARBONYL)-1H-1,2,4-TRIAZOL-5-AMINE, Methanone, (5-amino-1H-1,2,4-triazol-3-yl)-4-morpholinyl-
IUPAC Name
(3-amino-1H-1,2,4-triazol-5-yl)-morpholin-4-ylmethanone
Canonical SMILES
C1COCCN1C(=O)C2=NC(=NN2)N
InChI Key
GIJIMTXPJISLKV-UHFFFAOYSA-N
Exact Mass
197.09100
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula is C7H11N5O2.
What is the molecular weight of the compound?
The molecular weight is 197.19 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (3-amino-1H-1,2,4-triazol-5-yl)-morpholin-4-ylmethanone.
What is the InChI of the compound?
The InChI is InChI=1S/C7H11N5O2/c8-7-9-5(10-11-7)6(13)12-1-3-14-4-2-12/h1-4H2,(H3,8,9,10,11).
What is the InChIKey of the compound?
The InChIKey is GIJIMTXPJISLKV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1COCCN1C(=O)C2=NC(=NN2)N.
What is the CAS number of the compound?
The CAS number is 921225-11-8.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -0.9.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
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