4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide

C13H17N7O — CID 135468258

IUPAC4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESCN(C)N(Cc1ccccc1)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C13H17N7O/c1-19(2)20(8-10-6-4-3-5-7-10)18-17-13-11(12(14)21)15-9-16-13/h3-7,9H,8H2,1-2H3,(H2,14,21)(H,15,16)/b18-17+
InChIKeyDAMKQSOZEOCASA-ISLYRVAYSA-N
MW287.33 g/mol
LogP1.49
Rot. Bonds6

About 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide

4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide (PubChem CID 135468258) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide
PubChem CID135468258
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Name4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide
SMILESCN(C)N(Cc1ccccc1)/N=N/c1nc[nH]c1C(N)=O
InChIInChI=1S/C13H17N7O/c1-19(2)20(8-10-6-4-3-5-7-10)18-17-13-11(12(14)21)15-9-16-13/h3-7,9H,8H2,1-2H3,(H2,14,21)(H,15,16)/b18-17+
InChIKeyDAMKQSOZEOCASA-ISLYRVAYSA-N
XLogP1.49
TPSA102.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
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
CID 135524549
CID 135524549
4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
CID 173010993
4-[(E)-(4-bromoanilino)diazenyl]-1H-imidazole-5-carboxamide
CID 135441765
4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
CID 135509549
4-diazenyl-1H-imidazole-5-carboxamide;methanol
CID 143820747
5-benzyl-1H-imidazole-4-carboxamide
CID 102170188
butyl 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxylate
CID 135478670
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide (CID 135468258) is 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide is CN(C)N(Cc1ccccc1)/N=N/c1nc[nH]c1C(N)=O.
What is the InChIKey of 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide?
The InChIKey is DAMKQSOZEOCASA-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-19(2)20(8-10-6-4-3-5-7-10)18-17-13-11(12(14)21)15-9-16-13/h3-7,9H,8H2,1-2H3,(H2,14,21)(H,15,16)/b18-17+.
What are the key properties of 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide?
4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide has a molecular weight of 287.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135468258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).