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114607-35-1 | 1H-1,2,4-Triazol-5-amine, 1-ethenyl-
CAS No: 114607-35-1 Catalog No: AG000ES6 MDL No:
Product Description
Catalog Number:
AG000ES6
Chemical Name:
1H-1,2,4-Triazol-5-amine, 1-ethenyl-
CAS Number:
114607-35-1
Molecular Formula:
C4H6N4
Molecular Weight:
110.1172
IUPAC Name:
2-ethenyl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C4H6N4/c1-2-8-4(5)6-3-7-8/h2-3H,1H2,(H2,5,6,7)
InChI Key:
XFDNBEQYMXJREE-UHFFFAOYSA-N
SMILES:
Nc1ncnn1C=C
Properties
Complexity:
92
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.059g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.12g/mol
Monoisotopic Mass:
110.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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