2-benzyl-1,2,4-triazol-3-amine;hydrochloride

C9H11ClN4 — CID 163993287

IUPAC2-benzyl-1,2,4-triazol-3-amine;hydrochloride
SMILESCl.Nc1ncnn1Cc1ccccc1
InChIInChI=1S/C9H10N4.ClH/c10-9-11-7-12-13(9)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H2,10,11,12);1H
InChIKeyUCMYDRJUMZZLNS-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.33
Rot. Bonds2

About 2-benzyl-1,2,4-triazol-3-amine;hydrochloride

2-benzyl-1,2,4-triazol-3-amine;hydrochloride (PubChem CID 163993287) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 2-benzyl-1,2,4-triazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2-benzyl-1,2,4-triazol-3-amine;hydrochloride
PubChem CID163993287
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name2-benzyl-1,2,4-triazol-3-amine;hydrochloride
SMILESCl.Nc1ncnn1Cc1ccccc1
InChIInChI=1S/C9H10N4.ClH/c10-9-11-7-12-13(9)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H2,10,11,12);1H
InChIKeyUCMYDRJUMZZLNS-UHFFFAOYSA-N
XLogP1.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-1,2,4-triazol-3-amine;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-benzyl-1,2,4-triazol-3-amine;hydrochloride?
The IUPAC name of 2-benzyl-1,2,4-triazol-3-amine;hydrochloride (CID 163993287) is 2-benzyl-1,2,4-triazol-3-amine;hydrochloride.
What is the SMILES notation for 2-benzyl-1,2,4-triazol-3-amine;hydrochloride?
The canonical SMILES for 2-benzyl-1,2,4-triazol-3-amine;hydrochloride is Cl.Nc1ncnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,2,4-triazol-3-amine;hydrochloride?
The InChIKey is UCMYDRJUMZZLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.ClH/c10-9-11-7-12-13(9)6-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H2,10,11,12);1H.
What are the key properties of 2-benzyl-1,2,4-triazol-3-amine;hydrochloride?
2-benzyl-1,2,4-triazol-3-amine;hydrochloride has a molecular weight of 210.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,2,4-triazol-3-amine;hydrochloride is sourced from PubChem (CID 163993287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).