1-amino-3,4-dimethylimidazol-2-one

C5H9N3O — CID 19350729

IUPAC1-amino-3,4-dimethylimidazol-2-one
SMILESCc1cn(N)c(=O)n1C
InChIInChI=1S/C5H9N3O/c1-4-3-8(6)5(9)7(4)2/h3H,6H2,1-2H3
InChIKeyABSQEIJAQYRRHP-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.79
Rot. Bonds

About 1-amino-3,4-dimethylimidazol-2-one

1-amino-3,4-dimethylimidazol-2-one (PubChem CID 19350729) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-amino-3,4-dimethylimidazol-2-one.

Molecular Properties

Compound Name1-amino-3,4-dimethylimidazol-2-one
PubChem CID19350729
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-amino-3,4-dimethylimidazol-2-one
SMILESCc1cn(N)c(=O)n1C
InChIInChI=1S/C5H9N3O/c1-4-3-8(6)5(9)7(4)2/h3H,6H2,1-2H3
InChIKeyABSQEIJAQYRRHP-UHFFFAOYSA-N
XLogP-0.79
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-amino-3,4-dimethylimidazol-2-one 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-amino-3,4-dimethylimidazol-2-one?
The IUPAC name of 1-amino-3,4-dimethylimidazol-2-one (CID 19350729) is 1-amino-3,4-dimethylimidazol-2-one.
What is the SMILES notation for 1-amino-3,4-dimethylimidazol-2-one?
The canonical SMILES for 1-amino-3,4-dimethylimidazol-2-one is Cc1cn(N)c(=O)n1C.
What is the InChIKey of 1-amino-3,4-dimethylimidazol-2-one?
The InChIKey is ABSQEIJAQYRRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4-3-8(6)5(9)7(4)2/h3H,6H2,1-2H3.
What are the key properties of 1-amino-3,4-dimethylimidazol-2-one?
1-amino-3,4-dimethylimidazol-2-one has a molecular weight of 127.15 g/mol, XLogP of -0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,4-dimethylimidazol-2-one is sourced from PubChem (CID 19350729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).