CAS
938459-07-5 Purity
96%
938459-07-5 Purity
96%
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1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine
CAS
938459-10-0
Catalog Number
ACM938459100
Category
Other Products
Molecular Weight
140.186280 [g/mol]
Molecular Formula
C6H12N4
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Specification
Synonyms
1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine, 938459-10-0, Ambcb4018426, SureCN12341466, CTK5H3518, MolPort-016-631-077, ZINC19090909, AKOS006280785, AG-H-84193, AK118088
IUPAC Name
5-methyl-1-propan-2-yl-1,2,4-triazol-3-amine
Canonical SMILES
CC1=NC(=NN1C(C)C)N
InChI Key
UVRLGILFHWSWKE-UHFFFAOYSA-N
Boiling Point
302.1ºC at 760 mmHg
Flash Point
136.5ºC
Density
1.22g/cm³
Exact Mass
140.10600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine?
The molecular formula is C6H12N4.
When was the structure of 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine created and modified?
The structure was created on 2009-05-28 and modified on 2023-12-30.
What is the IUPAC name of 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine?
The IUPAC name is 5-methyl-1-propan-2-yl-1,2,4-triazol-3-amine.
What is the InChI of 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine?
The InChI is InChI=1S/C6H12N4/c1-4(2)10-5(3)8-6(7)9-10/h4H,1-3H3,(H2,7,9).
How many hydrogen bond donor counts does 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine have?
It has 1 hydrogen bond donor count.
What is the exact mass of 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine?
The exact mass is 140.106196400 g/mol.
What is the topological polar surface area of 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine?
The topological polar surface area is 56.7 Ų.
How many heavy atoms are present in 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine?
There are 10 heavy atoms.
Does 1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine have any defined atom stereocenter count?
No, it does not have any defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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