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26601-17-2 | 4H-1,2,4-Triazol-4-amine, 3-methyl-
CAS No: 26601-17-2 Catalog No: AG002TUF MDL No:MFCD14702894
Product Description
Catalog Number:
AG002TUF
Chemical Name:
4H-1,2,4-Triazol-4-amine, 3-methyl-
CAS Number:
26601-17-2
Molecular Formula:
C3H6N4
Molecular Weight:
98.1065
MDL Number:
MFCD14702894
IUPAC Name:
3-methyl-1,2,4-triazol-4-amine
InChI:
InChI=1S/C3H6N4/c1-3-6-5-2-7(3)4/h2H,4H2,1H3
InChI Key:
ZIXVQYBDSTZZTH-UHFFFAOYSA-N
SMILES:
Nn1cnnc1C
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:
-0.4
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