2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide

C6H9N3O2 — CID 166703267

IUPAC2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide
SMILESCC1=C(CC(=O)NN)NC1=O
InChIInChI=1S/C6H9N3O2/c1-3-4(8-6(3)11)2-5(10)9-7/h2,7H2,1H3,(H,8,11)(H,9,10)
InChIKeyALCRBWHEHUSMLD-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.23
Rot. Bonds2

About 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide

2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide (PubChem CID 166703267) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide
PubChem CID166703267
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide
SMILESCC1=C(CC(=O)NN)NC1=O
InChIInChI=1S/C6H9N3O2/c1-3-4(8-6(3)11)2-5(10)9-7/h2,7H2,1H3,(H,8,11)(H,9,10)
InChIKeyALCRBWHEHUSMLD-UHFFFAOYSA-N
XLogP-1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(3-methyl-4-oxo-1H-azet-2-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-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide?
The IUPAC name of 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide (CID 166703267) is 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide.
What is the SMILES notation for 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide?
The canonical SMILES for 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide is CC1=C(CC(=O)NN)NC1=O.
What is the InChIKey of 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide?
The InChIKey is ALCRBWHEHUSMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-3-4(8-6(3)11)2-5(10)9-7/h2,7H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide?
2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide has a molecular weight of 155.16 g/mol, XLogP of -1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxo-1H-azet-2-yl)acetohydrazide is sourced from PubChem (CID 166703267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).