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Home > Imidazoles > 1314972-45-6
1314972-45-6 | 1H-Imidazole-5-carboxamide, 1,4-dimethyl-
CAS No: 1314972-45-6 Catalog No: AG000WB3 MDL No:
Product Description
Catalog Number:
AG000WB3
Chemical Name:
1H-Imidazole-5-carboxamide, 1,4-dimethyl-
CAS Number:
1314972-45-6
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
IUPAC Name:
3,5-dimethylimidazole-4-carboxamide
InChI:
InChI=1S/C6H9N3O/c1-4-5(6(7)10)9(2)3-8-4/h3H,1-2H3,(H2,7,10)
InChI Key:
HQBHAVFRUVEOPO-UHFFFAOYSA-N
SMILES:
NC(=O)c1c(C)ncn1C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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