4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide

C10H13N5O3 — CID 135424233

IUPAC4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]cnc1/N=N/C(C(C)=O)=C(C)O
InChIInChI=1S/C10H13N5O3/c1-5(16)7(6(2)17)14-15-9-8(10(18)11-3)12-4-13-9/h4,16H,1-3H3,(H,11,18)(H,12,13)/b7-5?,15-14+
InChIKeyLFVZLLLVFWVKLO-DLVDHTCCSA-N
MW251.25 g/mol
LogP1.23
Rot. Bonds4

About 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide

4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 135424233) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide
PubChem CID135424233
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide
SMILESCNC(=O)c1[nH]cnc1/N=N/C(C(C)=O)=C(C)O
InChIInChI=1S/C10H13N5O3/c1-5(16)7(6(2)17)14-15-9-8(10(18)11-3)12-4-13-9/h4,16H,1-3H3,(H,11,18)(H,12,13)/b7-5?,15-14+
InChIKeyLFVZLLLVFWVKLO-DLVDHTCCSA-N
XLogP1.23
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide (CID 135424233) is 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide is CNC(=O)c1[nH]cnc1/N=N/C(C(C)=O)=C(C)O.
What is the InChIKey of 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide?
The InChIKey is LFVZLLLVFWVKLO-DLVDHTCCSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-5(16)7(6(2)17)14-15-9-8(10(18)11-3)12-4-13-9/h4,16H,1-3H3,(H,11,18)(H,12,13)/b7-5?,15-14+.
What are the key properties of 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide?
4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-4-oxopent-2-en-3-yl)diazenyl]-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135424233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).