2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride

C5H9ClN4O2 — CID 14153797

IUPAC2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C5H8N4O2.ClH/c6-1-3-8-4-2-7-5(8)9(10)11;/h2,4H,1,3,6H2;1H
InChIKeyUNLRFFXZTJXMPL-UHFFFAOYSA-N
MW192.61 g/mol
LogP0.17
Rot. Bonds3

About 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride

2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride (PubChem CID 14153797) has the molecular formula C5H9ClN4O2 and a molecular weight of 192.61 g/mol. Its IUPAC name is 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride
PubChem CID14153797
Molecular FormulaC5H9ClN4O2
Molecular Weight192.61 g/mol
Exact Mass192.04
IUPAC Name2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride
SMILESCl.NCCn1ccnc1[N+](=O)[O-]
InChIInChI=1S/C5H8N4O2.ClH/c6-1-3-8-4-2-7-5(8)9(10)11;/h2,4H,1,3,6H2;1H
InChIKeyUNLRFFXZTJXMPL-UHFFFAOYSA-N
XLogP0.17
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride 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-(2-nitroimidazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride (CID 14153797) is 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride is Cl.NCCn1ccnc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride?
The InChIKey is UNLRFFXZTJXMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2.ClH/c6-1-3-8-4-2-7-5(8)9(10)11;/h2,4H,1,3,6H2;1H.
What are the key properties of 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride?
2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride has a molecular weight of 192.61 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroimidazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 14153797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).