2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine

C15H21ClN4 — CID 57182352

IUPAC2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine
SMILESCCCCC(CN)(Cn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8-10,17H2,1H3
InChIKeyHBIWGFKZNOGHKY-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.02
Rot. Bonds7

About 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine

2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine (PubChem CID 57182352) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine
PubChem CID57182352
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine
SMILESCCCCC(CN)(Cn1cncn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8-10,17H2,1H3
InChIKeyHBIWGFKZNOGHKY-UHFFFAOYSA-N
XLogP3.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-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 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine (CID 57182352) is 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine is CCCCC(CN)(Cn1cncn1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine?
The InChIKey is HBIWGFKZNOGHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8-10,17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine?
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine has a molecular weight of 292.81 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexan-1-amine is sourced from PubChem (CID 57182352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).