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116889-64-6 | 1H-Pyrazol-5-amine, 1-methyl-4-(2H-tetrazol-5-yl)-
CAS No: 116889-64-6 Catalog No: AG000DCX MDL No:
Product Description
Catalog Number:
AG000DCX
Chemical Name:
1H-Pyrazol-5-amine, 1-methyl-4-(2H-tetrazol-5-yl)-
CAS Number:
116889-64-6
Molecular Formula:
C5H7N7
Molecular Weight:
165.1560
IUPAC Name:
2-methyl-4-(2H-tetrazol-5-yl)pyrazol-3-amine
InChI:
InChI=1S/C5H7N7/c1-12-4(6)3(2-7-12)5-8-10-11-9-5/h2H,6H2,1H3,(H,8,9,10,11)
InChI Key:
GCRANKPLOKKLTB-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1N)c1n[nH]nn1
EC Number:
601-454-8
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.16g/mol
Monoisotopic Mass:
165.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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