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15795-39-8 | 1H-1,2,4-Triazol-5-amine, 1-methyl-
CAS No: 15795-39-8 Catalog No: AG001PUR MDL No:MFCD02694318
Product Description
Catalog Number:
AG001PUR
Chemical Name:
1H-1,2,4-Triazol-5-amine, 1-methyl-
CAS Number:
15795-39-8
Molecular Formula:
C3H6N4
Molecular Weight:
98.1065
MDL Number:
MFCD02694318
IUPAC Name:
2-methyl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C3H6N4/c1-7-3(4)5-2-6-7/h2H,1H3,(H2,4,5,6)
InChI Key:
XBTDXUGMCUNQDP-UHFFFAOYSA-N
SMILES:
Cn1ncnc1N
Properties
Complexity:
64
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.059g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.109g/mol
Monoisotopic Mass:
98.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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