1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

C15H20ClN5 — CID 76684104

IUPAC1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESClc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C15H20ClN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2
InChIKeyUBINOAMCLUHYPL-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine

1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 76684104) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID76684104
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESClc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C15H20ClN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2
InChIKeyUBINOAMCLUHYPL-UHFFFAOYSA-N
XLogP2.82
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-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 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine (CID 76684104) is 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is Clc1ccc(-n2cc(NCCN3CCCCC3)nn2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is UBINOAMCLUHYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2.
What are the key properties of 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine?
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 305.81 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76684104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).