2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine

C14H17ClN4 — CID 98020555

IUPAC2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(Cl)ccc1-n1nc(C2CC2)nc1CCN
InChIInChI=1S/C14H17ClN4/c1-9-8-11(15)4-5-12(9)19-13(6-7-16)17-14(18-19)10-2-3-10/h4-5,8,10H,2-3,6-7,16H2,1H3
InChIKeyYJPXDAVZEGEYFH-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine

2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 98020555) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID98020555
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(Cl)ccc1-n1nc(C2CC2)nc1CCN
InChIInChI=1S/C14H17ClN4/c1-9-8-11(15)4-5-12(9)19-13(6-7-16)17-14(18-19)10-2-3-10/h4-5,8,10H,2-3,6-7,16H2,1H3
InChIKeyYJPXDAVZEGEYFH-UHFFFAOYSA-N
XLogP2.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine 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-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine (CID 98020555) is 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine is Cc1cc(Cl)ccc1-n1nc(C2CC2)nc1CCN.
What is the InChIKey of 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is YJPXDAVZEGEYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-9-8-11(15)4-5-12(9)19-13(6-7-16)17-14(18-19)10-2-3-10/h4-5,8,10H,2-3,6-7,16H2,1H3.
What are the key properties of 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine?
2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 276.77 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 98020555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).