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18329-78-7 | 1H-Imidazole-5-carboxylic acid, hydrazide
CAS No: 18329-78-7 Catalog No: AG0027HF MDL No:MFCD09839062
Product Description
Catalog Number:
AG0027HF
Chemical Name:
1H-Imidazole-5-carboxylic acid, hydrazide
CAS Number:
18329-78-7
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
MDL Number:
MFCD09839062
IUPAC Name:
1H-imidazole-5-carbohydrazide
InChI:
InChI=1S/C4H6N4O/c5-8-4(9)3-1-6-2-7-3/h1-2H,5H2,(H,6,7)(H,8,9)
InChI Key:
FYMACJSAHLBMHV-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cnc[nH]1
NSC Number:
14584
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
126.119g/mol
Monoisotopic Mass:
126.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Rational design of new antituberculosis agents: receptor-independent four-dimensional quantitative structure-activity relationship analysis of a set of isoniazid derivatives. | Journal of medicinal chemistry 20040715 |
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