4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide

C11H10N6O4 — CID 3332392

IUPAC4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide
SMILESNNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N6O4/c12-16-11(19)9-8(13-5-14-9)10(18)15-6-3-1-2-4-7(6)17(20)21/h1-5H,12H2,(H,13,14)(H,15,18)(H,16,19)
InChIKeyGGNICRLLGZPDME-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.17
Rot. Bonds4

About 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide

4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide (PubChem CID 3332392) has the molecular formula C11H10N6O4 and a molecular weight of 290.24 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide
PubChem CID3332392
Molecular FormulaC11H10N6O4
Molecular Weight290.24 g/mol
Exact Mass290.08
IUPAC Name4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide
SMILESNNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N6O4/c12-16-11(19)9-8(13-5-14-9)10(18)15-6-3-1-2-4-7(6)17(20)21/h1-5H,12H2,(H,13,14)(H,15,18)(H,16,19)
InChIKeyGGNICRLLGZPDME-UHFFFAOYSA-N
XLogP0.17
TPSA156.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Hydrazinocarbonyl-1H-imidazole-4-carboxylic acid p-tolylamide
CID 823571
N~5~-(2-hydroxyethyl)-N~4~-{2-nitrophenyl}-1H-imidazole-4,5-dicarboxamide
CID 6426151
1H-Imidazole-4,5-dicarboxylic acid 4-[(4-fluoro-phenyl)-amide] 5-methylamide
CID 965337
N~5~-cyclohexyl-N~4~-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 2945303
N4-(4-Fluorophenyl)-N5-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 2947008
N~4~-(4-fluorophenyl)-N~5~-(4-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 135459331
5-(Hydrazinecarbonyl)-N-(2-methylphenyl)-1H-imidazole-4-carboxamide
CID 741303
4-(Hydrazinecarbonyl)-N-phenyl-1H-imidazole-5-carboxamide
CID 564870
5-N-(2-fluorophenyl)-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
CID 46903833
5-N,5-N-diethyl-4-N-phenyl-1H-imidazole-4,5-dicarboxamide
CID 42628353
N~4~-(3-methylphenyl)-N~5~-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
CID 2945410
1H-Imidazole-4,5-dicarboxylic acid 5-methylamide 4-phenylamide
CID 564868

Frequently Asked Questions

What is the IUPAC name of 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide (CID 3332392) is 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide is NNC(=O)c1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide?
The InChIKey is GGNICRLLGZPDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O4/c12-16-11(19)9-8(13-5-14-9)10(18)15-6-3-1-2-4-7(6)17(20)21/h1-5H,12H2,(H,13,14)(H,15,18)(H,16,19).
What are the key properties of 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide?
4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide has a molecular weight of 290.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)-N-(2-nitrophenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 3332392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).