2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride

C11H15ClN4 — CID 90489043

IUPAC2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride
SMILESCl.NCCc1cnnn1Cc1ccccc1
InChIInChI=1S/C11H14N4.ClH/c12-7-6-11-8-13-14-15(11)9-10-4-2-1-3-5-10;/h1-5,8H,6-7,9,12H2;1H
InChIKeyXHCVGPQGGCMPQI-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.25
Rot. Bonds4

About 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride

2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride (PubChem CID 90489043) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride
PubChem CID90489043
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride
SMILESCl.NCCc1cnnn1Cc1ccccc1
InChIInChI=1S/C11H14N4.ClH/c12-7-6-11-8-13-14-15(11)9-10-4-2-1-3-5-10;/h1-5,8H,6-7,9,12H2;1H
InChIKeyXHCVGPQGGCMPQI-UHFFFAOYSA-N
XLogP1.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-benzyltriazol-4-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

Related Compounds

3-(3-benzyltriazol-4-yl)propan-1-amine
CID 84681932
2-[3-[(4-bromophenyl)methyl]triazol-4-yl]ethanamine
CID 82203608
3-(3-benzyltriazol-4-yl)propan-1-ol
CID 178053444
3-(3-benzyltriazol-4-yl)propanoic acid
CID 83644743
2-[3-(naphthalen-1-ylmethyl)triazol-4-yl]ethanamine
CID 82203830
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
2-(1-benzyl-5-bromopyrazol-4-yl)ethanamine
CID 115051589
[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203684
2-(3-benzylimidazol-4-yl)ethanamine
CID 19417806
3-(3-benzyltriazol-4-yl)-2-methylpropanoic acid
CID 84705120
2-(3-benzyltriazol-4-yl)propan-2-ol
CID 11687175
2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine
CID 82209257

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride (CID 90489043) is 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride is Cl.NCCc1cnnn1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride?
The InChIKey is XHCVGPQGGCMPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c12-7-6-11-8-13-14-15(11)9-10-4-2-1-3-5-10;/h1-5,8H,6-7,9,12H2;1H.
What are the key properties of 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride?
2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 90489043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).