4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide

C6H11N7O — CID 135418548

IUPAC4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide
SMILESCN(C)/N=N/c1nc[nH]c1C(=O)NN
InChIInChI=1S/C6H11N7O/c1-13(2)12-11-5-4(6(14)10-7)8-3-9-5/h3H,7H2,1-2H3,(H,8,9)(H,10,14)/b12-11+
InChIKeyJGIJKAROWSLZRI-VAWYXSNFSA-N
MW197.20 g/mol
LogP-0.43
Rot. Bonds3

About 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide

4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide (PubChem CID 135418548) has the molecular formula C6H11N7O and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide.

Molecular Properties

Compound Name4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide
PubChem CID135418548
Molecular FormulaC6H11N7O
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide
SMILESCN(C)/N=N/c1nc[nH]c1C(=O)NN
InChIInChI=1S/C6H11N7O/c1-13(2)12-11-5-4(6(14)10-7)8-3-9-5/h3H,7H2,1-2H3,(H,8,9)(H,10,14)/b12-11+
InChIKeyJGIJKAROWSLZRI-VAWYXSNFSA-N
XLogP-0.43
TPSA111.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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]-1H-imidazole-5-carbohydrazide?
The IUPAC name of 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide (CID 135418548) is 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide.
What is the SMILES notation for 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide?
The canonical SMILES for 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide is CN(C)/N=N/c1nc[nH]c1C(=O)NN.
What is the InChIKey of 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide?
The InChIKey is JGIJKAROWSLZRI-VAWYXSNFSA-N. The full InChI is InChI=1S/C6H11N7O/c1-13(2)12-11-5-4(6(14)10-7)8-3-9-5/h3H,7H2,1-2H3,(H,8,9)(H,10,14)/b12-11+.
What are the key properties of 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide?
4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide has a molecular weight of 197.20 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide is sourced from PubChem (CID 135418548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).