1-(5-amino-4-methylimidazol-1-yl)ethanone

C6H9N3O — CID 23546851

IUPAC1-(5-amino-4-methylimidazol-1-yl)ethanone
SMILESCC(=O)n1cnc(C)c1N
InChIInChI=1S/C6H9N3O/c1-4-6(7)9(3-8-4)5(2)10/h3H,7H2,1-2H3
InChIKeyUYIGAQKLNYGIQD-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.43
Rot. Bonds

About 1-(5-amino-4-methylimidazol-1-yl)ethanone

1-(5-amino-4-methylimidazol-1-yl)ethanone (PubChem CID 23546851) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(5-amino-4-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-4-methylimidazol-1-yl)ethanone
PubChem CID23546851
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(5-amino-4-methylimidazol-1-yl)ethanone
SMILESCC(=O)n1cnc(C)c1N
InChIInChI=1S/C6H9N3O/c1-4-6(7)9(3-8-4)5(2)10/h3H,7H2,1-2H3
InChIKeyUYIGAQKLNYGIQD-UHFFFAOYSA-N
XLogP0.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-(5-amino-4-methylimidazol-1-yl)ethanone (CID 23546851) is 1-(5-amino-4-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(5-amino-4-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(5-amino-4-methylimidazol-1-yl)ethanone is CC(=O)n1cnc(C)c1N.
What is the InChIKey of 1-(5-amino-4-methylimidazol-1-yl)ethanone?
The InChIKey is UYIGAQKLNYGIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-6(7)9(3-8-4)5(2)10/h3H,7H2,1-2H3.
What are the key properties of 1-(5-amino-4-methylimidazol-1-yl)ethanone?
1-(5-amino-4-methylimidazol-1-yl)ethanone has a molecular weight of 139.16 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 23546851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).