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23585-00-4 | 1H-Imidazole-5-carboxylic acid, 1-methyl-, hydrazide
CAS No: 23585-00-4 Catalog No: AG002NRL MDL No:MFCD03659706
Product Description
Catalog Number:
AG002NRL
Chemical Name:
1H-Imidazole-5-carboxylic acid, 1-methyl-, hydrazide
CAS Number:
23585-00-4
Molecular Formula:
C5H8N4O
Molecular Weight:
140.1432
MDL Number:
MFCD03659706
IUPAC Name:
3-methylimidazole-4-carbohydrazide
InChI:
InChI=1S/C5H8N4O/c1-9-3-7-2-4(9)5(10)8-6/h2-3H,6H2,1H3,(H,8,10)
InChI Key:
CFIAOJVURKEWPG-UHFFFAOYSA-N
SMILES:
Cn1cncc1C(=O)NN
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.146g/mol
Monoisotopic Mass:
140.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^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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