4-ethoxy-1H-imidazol-5-amine

C5H9N3O — CID 83619684

IUPAC4-ethoxy-1H-imidazol-5-amine
SMILESCCOc1nc[nH]c1N
InChIInChI=1S/C5H9N3O/c1-2-9-5-4(6)7-3-8-5/h3H,2,6H2,1H3,(H,7,8)
InChIKeyJMPLBJWWONBVAF-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.39
Rot. Bonds2

About 4-ethoxy-1H-imidazol-5-amine

4-ethoxy-1H-imidazol-5-amine (PubChem CID 83619684) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-ethoxy-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-ethoxy-1H-imidazol-5-amine
PubChem CID83619684
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-ethoxy-1H-imidazol-5-amine
SMILESCCOc1nc[nH]c1N
InChIInChI=1S/C5H9N3O/c1-2-9-5-4(6)7-3-8-5/h3H,2,6H2,1H3,(H,7,8)
InChIKeyJMPLBJWWONBVAF-UHFFFAOYSA-N
XLogP0.39
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-ethoxy-1H-imidazol-5-amine 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 4-ethoxy-1H-imidazol-5-amine?
The IUPAC name of 4-ethoxy-1H-imidazol-5-amine (CID 83619684) is 4-ethoxy-1H-imidazol-5-amine.
What is the SMILES notation for 4-ethoxy-1H-imidazol-5-amine?
The canonical SMILES for 4-ethoxy-1H-imidazol-5-amine is CCOc1nc[nH]c1N.
What is the InChIKey of 4-ethoxy-1H-imidazol-5-amine?
The InChIKey is JMPLBJWWONBVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-2-9-5-4(6)7-3-8-5/h3H,2,6H2,1H3,(H,7,8).
What are the key properties of 4-ethoxy-1H-imidazol-5-amine?
4-ethoxy-1H-imidazol-5-amine has a molecular weight of 127.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1H-imidazol-5-amine is sourced from PubChem (CID 83619684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).