5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide

C10H9N5O3 — CID 141054200

IUPAC5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide
SMILESNC(=O)c1ncn(-c2ccc([N+](=O)[O-])cc2)c1N
InChIInChI=1S/C10H9N5O3/c11-9-8(10(12)16)13-5-14(9)6-1-3-7(4-2-6)15(17)18/h1-5H,11H2,(H2,12,16)
InChIKeyCGFMHPKWQDQHMU-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.46
Rot. Bonds3

About 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide

5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide (PubChem CID 141054200) has the molecular formula C10H9N5O3 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide
PubChem CID141054200
Molecular FormulaC10H9N5O3
Molecular Weight247.21 g/mol
Exact Mass247.07
IUPAC Name5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide
SMILESNC(=O)c1ncn(-c2ccc([N+](=O)[O-])cc2)c1N
InChIInChI=1S/C10H9N5O3/c11-9-8(10(12)16)13-5-14(9)6-1-3-7(4-2-6)15(17)18/h1-5H,11H2,(H2,12,16)
InChIKeyCGFMHPKWQDQHMU-UHFFFAOYSA-N
XLogP0.46
TPSA130.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-(4-nitrophenyl)triazole-4-carboxylic acid
CID 66524061
potassium 4-methyl-1-(4-nitrophenyl)-6-oxopyrimidine-5-carboxylate
CID 21325513
4-(5-nitrobenzimidazol-1-yl)aniline
CID 827644
5-amino-1-(4-nitrophenyl)triazole-4-carbonitrile
CID 2748762
5-amino-1-methylimidazole-4-carboxamide;hydrochloride
CID 73011411
1-(4-nitrophenyl)pyrimidin-2-one
CID 59260079
[1-(4-nitrophenyl)-6-oxopyridazin-3-yl] acetate
CID 5103852
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615
5-methyl-1-(4-nitrophenyl)pyrazol-3-amine
CID 50999869
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065
ethyl 1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylate
CID 134096704
2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide
CID 3054060

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide (CID 141054200) is 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide is NC(=O)c1ncn(-c2ccc([N+](=O)[O-])cc2)c1N.
What is the InChIKey of 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide?
The InChIKey is CGFMHPKWQDQHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O3/c11-9-8(10(12)16)13-5-14(9)6-1-3-7(4-2-6)15(17)18/h1-5H,11H2,(H2,12,16).
What are the key properties of 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide?
5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-nitrophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 141054200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).