1-[2-(methylamino)-1H-imidazol-5-yl]ethanone

C6H9N3O — CID 45085559

IUPAC1-[2-(methylamino)-1H-imidazol-5-yl]ethanone
SMILESCNc1ncc(C(C)=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4(10)5-3-8-6(7-2)9-5/h3H,1-2H3,(H2,7,8,9)
InChIKeyLBEYONTZTWFNOE-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.65
Rot. Bonds2

About 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone

1-[2-(methylamino)-1H-imidazol-5-yl]ethanone (PubChem CID 45085559) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)-1H-imidazol-5-yl]ethanone
PubChem CID45085559
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-[2-(methylamino)-1H-imidazol-5-yl]ethanone
SMILESCNc1ncc(C(C)=O)[nH]1
InChIInChI=1S/C6H9N3O/c1-4(10)5-3-8-6(7-2)9-5/h3H,1-2H3,(H2,7,8,9)
InChIKeyLBEYONTZTWFNOE-UHFFFAOYSA-N
XLogP0.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone 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 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone (CID 45085559) is 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone is CNc1ncc(C(C)=O)[nH]1.
What is the InChIKey of 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone?
The InChIKey is LBEYONTZTWFNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4(10)5-3-8-6(7-2)9-5/h3H,1-2H3,(H2,7,8,9).
What are the key properties of 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone?
1-[2-(methylamino)-1H-imidazol-5-yl]ethanone has a molecular weight of 139.16 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)-1H-imidazol-5-yl]ethanone is sourced from PubChem (CID 45085559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).