4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide

C9H17N7O — CID 135509549

IUPAC4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
SMILESCCCCN(C)/N=N/c1nc[nH]c1C(=O)NN
InChIInChI=1S/C9H17N7O/c1-3-4-5-16(2)15-14-8-7(9(17)13-10)11-6-12-8/h6H,3-5,10H2,1-2H3,(H,11,12)(H,13,17)/b15-14+
InChIKeyOLDPKRMBMAUGRR-CCEZHUSRSA-N
MW239.28 g/mol
LogP0.74
Rot. Bonds6

About 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide

4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide (PubChem CID 135509549) has the molecular formula C9H17N7O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide.

Molecular Properties

Compound Name4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
PubChem CID135509549
Molecular FormulaC9H17N7O
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
SMILESCCCCN(C)/N=N/c1nc[nH]c1C(=O)NN
InChIInChI=1S/C9H17N7O/c1-3-4-5-16(2)15-14-8-7(9(17)13-10)11-6-12-8/h6H,3-5,10H2,1-2H3,(H,11,12)(H,13,17)/b15-14+
InChIKeyOLDPKRMBMAUGRR-CCEZHUSRSA-N
XLogP0.74
TPSA111.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.74
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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Related Compounds

butyl 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxylate
CID 135478670
4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide
CID 135418548
4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135518056
methyl 4-[(E)-[bis(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxylate
CID 135684125
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
4-N,5-N-dibutyl-1H-imidazole-4,5-dicarboxamide
CID 551896
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135459437
4-[[butyl(methyl)amino]diazenyl]benzoic acid
CID 23274523
4-(butan-2-ylideneamino)-1H-imidazole-5-carboxamide
CID 174089409
4-N,5-N-bis[(Z)-pentan-2-ylideneamino]-1H-imidazole-4,5-dicarboxamide
CID 171985850
6-(dibutylamino)-3,7-dihydropurin-2-one
CID 3631920

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide?
The IUPAC name of 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide (CID 135509549) is 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide.
What is the SMILES notation for 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide?
The canonical SMILES for 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide is CCCCN(C)/N=N/c1nc[nH]c1C(=O)NN.
What is the InChIKey of 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide?
The InChIKey is OLDPKRMBMAUGRR-CCEZHUSRSA-N. The full InChI is InChI=1S/C9H17N7O/c1-3-4-5-16(2)15-14-8-7(9(17)13-10)11-6-12-8/h6H,3-5,10H2,1-2H3,(H,11,12)(H,13,17)/b15-14+.
What are the key properties of 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide?
4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide has a molecular weight of 239.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide is sourced from PubChem (CID 135509549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).