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

C9H16N6O — CID 135478899

IUPAC4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide
SMILESCCCc1nc(/N=N/N(C)C)c(C(N)=O)[nH]1
InChIInChI=1S/C9H16N6O/c1-4-5-6-11-7(8(10)16)9(12-6)13-14-15(2)3/h4-5H2,1-3H3,(H2,10,16)(H,11,12)/b14-13+
InChIKeyZJLZBDRITOQGBW-BUHFOSPRSA-N
MW224.27 g/mol
LogP1.02
Rot. Bonds5

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

4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide (PubChem CID 135478899) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide
PubChem CID135478899
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide
SMILESCCCc1nc(/N=N/N(C)C)c(C(N)=O)[nH]1
InChIInChI=1S/C9H16N6O/c1-4-5-6-11-7(8(10)16)9(12-6)13-14-15(2)3/h4-5H2,1-3H3,(H2,10,16)(H,11,12)/b14-13+
InChIKeyZJLZBDRITOQGBW-BUHFOSPRSA-N
XLogP1.02
TPSA99.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 51.02
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-propyl-1H-imidazole-5-carboxamide?
The IUPAC name of 4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide (CID 135478899) is 4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide is CCCc1nc(/N=N/N(C)C)c(C(N)=O)[nH]1.
What is the InChIKey of 4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide?
The InChIKey is ZJLZBDRITOQGBW-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H16N6O/c1-4-5-6-11-7(8(10)16)9(12-6)13-14-15(2)3/h4-5H2,1-3H3,(H2,10,16)(H,11,12)/b14-13+.
What are the key properties of 4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide?
4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide has a molecular weight of 224.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-dimethylaminodiazenyl]-2-propyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135478899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).