4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide

C7H12N6O — CID 135545708

IUPAC4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1nc(/N=N/N(C)C)c(C(N)=O)[nH]1
InChIInChI=1S/C7H12N6O/c1-4-9-5(6(8)14)7(10-4)11-12-13(2)3/h1-3H3,(H2,8,14)(H,9,10)/b12-11+
InChIKeyNAEMHUQJOGACLZ-VAWYXSNFSA-N
MW196.21 g/mol
LogP0.38
Rot. Bonds3

About 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide

4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 135545708) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID135545708
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1nc(/N=N/N(C)C)c(C(N)=O)[nH]1
InChIInChI=1S/C7H12N6O/c1-4-9-5(6(8)14)7(10-4)11-12-13(2)3/h1-3H3,(H2,8,14)(H,9,10)/b12-11+
InChIKeyNAEMHUQJOGACLZ-VAWYXSNFSA-N
XLogP0.38
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide (CID 135545708) is 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide is Cc1nc(/N=N/N(C)C)c(C(N)=O)[nH]1.
What is the InChIKey of 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is NAEMHUQJOGACLZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C7H12N6O/c1-4-9-5(6(8)14)7(10-4)11-12-13(2)3/h1-3H3,(H2,8,14)(H,9,10)/b12-11+.
What are the key properties of 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide?
4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135545708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).