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775350-08-8 | 1H-Imidazole-5-carboxylicacid, 2-(1-methylethyl)-, hydrazide
CAS No: 775350-08-8 Catalog No: AG005H30 MDL No:
Product Description
Catalog Number:
AG005H30
Chemical Name:
1H-Imidazole-5-carboxylicacid, 2-(1-methylethyl)-, hydrazide
CAS Number:
775350-08-8
Molecular Formula:
C7H12N4O
Molecular Weight:
168.1964
IUPAC Name:
2-propan-2-yl-1H-imidazole-5-carbohydrazide
InChI:
InChI=1S/C7H12N4O/c1-4(2)6-9-3-5(10-6)7(12)11-8/h3-4H,8H2,1-2H3,(H,9,10)(H,11,12)
InChI Key:
XODAOGSOQRLBFR-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cnc([nH]1)C(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.2g/mol
Monoisotopic Mass:
168.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Ring-substituted imidazoles as a new class of anti-tuberculosis agents. | European journal of medicinal chemistry 20040901 |
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