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13040-75-0 | 1H-1,2,4-Triazol-5-amine, 3-methyl-, nitrate (1:1)
CAS No: 13040-75-0 Catalog No: AG000UDY MDL No:
Product Description
Catalog Number:
AG000UDY
Chemical Name:
1H-1,2,4-Triazol-5-amine, 3-methyl-, nitrate (1:1)
CAS Number:
13040-75-0
Molecular Formula:
C3H7N5O3
Molecular Weight:
161.1194
IUPAC Name:
5-methyl-1H-1,2,4-triazol-3-amine;nitric acid
InChI:
InChI=1S/C3H6N4.HNO3/c1-2-5-3(4)7-6-2;2-1(3)4/h1H3,(H3,4,5,6,7);(H,2,3,4)
InChI Key:
CMWIWNOKVMNFSL-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(n1)N.[O-][N+](=O)O
NSC Number:
206202
Properties
Complexity:
88.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
161.121g/mol
Monoisotopic Mass:
161.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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