5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide

C7H12N6O — CID 6438807

IUPAC5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide
SMILESCN(C)/N=N/c1c(C(N)=O)ncn1C
InChIInChI=1S/C7H12N6O/c1-12(2)11-10-7-5(6(8)14)9-4-13(7)3/h4H,1-3H3,(H2,8,14)/b11-10+
InChIKeyRBMPADCBBZIJMK-ZHACJKMWSA-N
MW196.21 g/mol
LogP0.08
Rot. Bonds3

About 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide

5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide (PubChem CID 6438807) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide
PubChem CID6438807
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide
SMILESCN(C)/N=N/c1c(C(N)=O)ncn1C
InChIInChI=1S/C7H12N6O/c1-12(2)11-10-7-5(6(8)14)9-4-13(7)3/h4H,1-3H3,(H2,8,14)/b11-10+
InChIKeyRBMPADCBBZIJMK-ZHACJKMWSA-N
XLogP0.08
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.08
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide (CID 6438807) is 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide is CN(C)/N=N/c1c(C(N)=O)ncn1C.
What is the InChIKey of 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide?
The InChIKey is RBMPADCBBZIJMK-ZHACJKMWSA-N. The full InChI is InChI=1S/C7H12N6O/c1-12(2)11-10-7-5(6(8)14)9-4-13(7)3/h4H,1-3H3,(H2,8,14)/b11-10+.
What are the key properties of 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide?
5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-dimethylaminodiazenyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 6438807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).