2-(1H-imidazol-5-yl)ethylazanium

C5H10N3+ — CID 25201573

IUPAC2-(1H-imidazol-5-yl)ethylazanium
SMILES[NH3+]CCc1cnc[nH]1
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-O
MW112.16 g/mol
LogP-0.81
Rot. Bonds2

About 2-(1H-imidazol-5-yl)ethylazanium

2-(1H-imidazol-5-yl)ethylazanium (PubChem CID 25201573) has the molecular formula C5H10N3+ and a molecular weight of 112.16 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethylazanium.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethylazanium
PubChem CID25201573
Molecular FormulaC5H10N3+
Molecular Weight112.16 g/mol
Exact Mass112.09
IUPAC Name2-(1H-imidazol-5-yl)ethylazanium
SMILES[NH3+]CCc1cnc[nH]1
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-O
XLogP-0.81
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.16
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(1H-imidazol-5-yl)ethylazanium 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-(1H-imidazol-5-yl)ethylazanium?
The IUPAC name of 2-(1H-imidazol-5-yl)ethylazanium (CID 25201573) is 2-(1H-imidazol-5-yl)ethylazanium.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethylazanium?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethylazanium is [NH3+]CCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethylazanium?
The InChIKey is NTYJJOPFIAHURM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1.
What are the key properties of 2-(1H-imidazol-5-yl)ethylazanium?
2-(1H-imidazol-5-yl)ethylazanium has a molecular weight of 112.16 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)ethylazanium is sourced from PubChem (CID 25201573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).