2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide

C8H8N8O3 — CID 136655045

IUPAC2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide
SMILESNC(=O)c1[nH]cnc1N=NC1=NC(O)(C(N)=O)C=N1
InChIInChI=1S/C8H8N8O3/c9-4(17)3-5(13-2-12-3)15-16-7-11-1-8(19,14-7)6(10)18/h1-2,19H,(H2,9,17)(H2,10,18)(H,12,13)
InChIKeyRVDVZFZPOFBLJD-UHFFFAOYSA-N
MW264.20 g/mol
LogP-1.79
Rot. Bonds3

About 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide

2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide (PubChem CID 136655045) has the molecular formula C8H8N8O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide
PubChem CID136655045
Molecular FormulaC8H8N8O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide
SMILESNC(=O)c1[nH]cnc1N=NC1=NC(O)(C(N)=O)C=N1
InChIInChI=1S/C8H8N8O3/c9-4(17)3-5(13-2-12-3)15-16-7-11-1-8(19,14-7)6(10)18/h1-2,19H,(H2,9,17)(H2,10,18)(H,12,13)
InChIKeyRVDVZFZPOFBLJD-UHFFFAOYSA-N
XLogP-1.79
TPSA184.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135518056
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135459437
CID 135524549
CID 135524549
4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide
CID 135441765
4-diazenyl-1H-imidazole-5-carboxamide;methanol
CID 143820747
4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
CID 174089409
2-[2-acetyloxyethyl-[(E)-(5-carbamoyl-1H-imidazol-4-yl)diazenyl]amino]ethyl acetate
CID 135459384
4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 166540383
4-(15N)azanyl-1H-imidazole-5-(14N)carboxamide
CID 101129871
4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide
CID 135418548
4-hydrazinyl-1H-imidazole-5-carboxamide
CID 12802223
4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
CID 173010993

Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide?
The IUPAC name of 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide (CID 136655045) is 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide.
What is the SMILES notation for 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide?
The canonical SMILES for 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide is NC(=O)c1[nH]cnc1N=NC1=NC(O)(C(N)=O)C=N1.
What is the InChIKey of 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide?
The InChIKey is RVDVZFZPOFBLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N8O3/c9-4(17)3-5(13-2-12-3)15-16-7-11-1-8(19,14-7)6(10)18/h1-2,19H,(H2,9,17)(H2,10,18)(H,12,13).
What are the key properties of 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide?
2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide has a molecular weight of 264.20 g/mol, XLogP of -1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamoyl-1H-imidazol-4-yl)diazenyl]-4-hydroxyimidazole-4-carboxamide is sourced from PubChem (CID 136655045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).