2-amino-3-methylimidazol-4-ol

C4H7N3O — CID 69341192

IUPAC2-amino-3-methylimidazol-4-ol
SMILESCn1c(O)cnc1N
InChIInChI=1S/C4H7N3O/c1-7-3(8)2-6-4(7)5/h2,8H,1H3,(H2,5,6)
InChIKeyGRJLJCXPBKFBDD-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.29
Rot. Bonds

About 2-amino-3-methylimidazol-4-ol

2-amino-3-methylimidazol-4-ol (PubChem CID 69341192) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-amino-3-methylimidazol-4-ol.

Molecular Properties

Compound Name2-amino-3-methylimidazol-4-ol
PubChem CID69341192
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name2-amino-3-methylimidazol-4-ol
SMILESCn1c(O)cnc1N
InChIInChI=1S/C4H7N3O/c1-7-3(8)2-6-4(7)5/h2,8H,1H3,(H2,5,6)
InChIKeyGRJLJCXPBKFBDD-UHFFFAOYSA-N
XLogP-0.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methylimidazol-4-ol 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-3-methylimidazol-4-ol?
The IUPAC name of 2-amino-3-methylimidazol-4-ol (CID 69341192) is 2-amino-3-methylimidazol-4-ol.
What is the SMILES notation for 2-amino-3-methylimidazol-4-ol?
The canonical SMILES for 2-amino-3-methylimidazol-4-ol is Cn1c(O)cnc1N.
What is the InChIKey of 2-amino-3-methylimidazol-4-ol?
The InChIKey is GRJLJCXPBKFBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c1-7-3(8)2-6-4(7)5/h2,8H,1H3,(H2,5,6).
What are the key properties of 2-amino-3-methylimidazol-4-ol?
2-amino-3-methylimidazol-4-ol has a molecular weight of 113.12 g/mol, XLogP of -0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylimidazol-4-ol is sourced from PubChem (CID 69341192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).