2-(4,5-dimethylimidazol-1-yl)acetohydrazide

C7H12N4O — CID 63577093

IUPAC2-(4,5-dimethylimidazol-1-yl)acetohydrazide
SMILESCc1ncn(CC(=O)NN)c1C
InChIInChI=1S/C7H12N4O/c1-5-6(2)11(4-9-5)3-7(12)10-8/h4H,3,8H2,1-2H3,(H,10,12)
InChIKeyPJJDLYZKLHYDLH-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.51
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)acetohydrazide

2-(4,5-dimethylimidazol-1-yl)acetohydrazide (PubChem CID 63577093) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)acetohydrazide
PubChem CID63577093
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(4,5-dimethylimidazol-1-yl)acetohydrazide
SMILESCc1ncn(CC(=O)NN)c1C
InChIInChI=1S/C7H12N4O/c1-5-6(2)11(4-9-5)3-7(12)10-8/h4H,3,8H2,1-2H3,(H,10,12)
InChIKeyPJJDLYZKLHYDLH-UHFFFAOYSA-N
XLogP-0.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4,5-dimethylimidazol-1-yl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)acetohydrazide (CID 63577093) is 2-(4,5-dimethylimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)acetohydrazide is Cc1ncn(CC(=O)NN)c1C.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)acetohydrazide?
The InChIKey is PJJDLYZKLHYDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5-6(2)11(4-9-5)3-7(12)10-8/h4H,3,8H2,1-2H3,(H,10,12).
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)acetohydrazide?
2-(4,5-dimethylimidazol-1-yl)acetohydrazide has a molecular weight of 168.20 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 63577093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).