2-amino-1-methyl-4H-imidazol-5-one

C4H7N3O — CID 11062545

IUPAC2-amino-1-methyl-4H-imidazol-5-one
SMILESCN1C(=O)CN=C1N
InChIInChI=1S/C4H7N3O/c1-7-3(8)2-6-4(7)5/h2H2,1H3,(H2,5,6)
InChIKeyYGOBAQVJSUDQFU-UHFFFAOYSA-N
MW113.12 g/mol
LogP-1.23
Rot. Bonds

About 2-amino-1-methyl-4H-imidazol-5-one

2-amino-1-methyl-4H-imidazol-5-one (PubChem CID 11062545) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-amino-1-methyl-4H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-1-methyl-4H-imidazol-5-one
PubChem CID11062545
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-amino-1-methyl-4H-imidazol-5-one
SMILESCN1C(=O)CN=C1N
InChIInChI=1S/C4H7N3O/c1-7-3(8)2-6-4(7)5/h2H2,1H3,(H2,5,6)
InChIKeyYGOBAQVJSUDQFU-UHFFFAOYSA-N
XLogP-1.23
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-methyl-4H-imidazol-5-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 2-amino-1-methyl-4H-imidazol-5-one?
The IUPAC name of 2-amino-1-methyl-4H-imidazol-5-one (CID 11062545) is 2-amino-1-methyl-4H-imidazol-5-one.
What is the SMILES notation for 2-amino-1-methyl-4H-imidazol-5-one?
The canonical SMILES for 2-amino-1-methyl-4H-imidazol-5-one is CN1C(=O)CN=C1N.
What is the InChIKey of 2-amino-1-methyl-4H-imidazol-5-one?
The InChIKey is YGOBAQVJSUDQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-3(8)2-6-4(7)5/h2H2,1H3,(H2,5,6).
What are the key properties of 2-amino-1-methyl-4H-imidazol-5-one?
2-amino-1-methyl-4H-imidazol-5-one has a molecular weight of 113.12 g/mol, XLogP of -1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-4H-imidazol-5-one is sourced from PubChem (CID 11062545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).