4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole

C15H18ClN3 — CID 155532757

IUPAC4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole
SMILESClc1cccc(-c2cn[nH]n2)c1CCC1CCCC1
InChIInChI=1S/C15H18ClN3/c16-14-7-3-6-13(15-10-17-19-18-15)12(14)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,17,18,19)
InChIKeyPFAMADRBVMBNKM-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.25
Rot. Bonds4

About 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole

4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole (PubChem CID 155532757) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole.

Molecular Properties

Compound Name4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole
PubChem CID155532757
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole
SMILESClc1cccc(-c2cn[nH]n2)c1CCC1CCCC1
InChIInChI=1S/C15H18ClN3/c16-14-7-3-6-13(15-10-17-19-18-15)12(14)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,17,18,19)
InChIKeyPFAMADRBVMBNKM-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole?
The IUPAC name of 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole (CID 155532757) is 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole.
What is the SMILES notation for 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole?
The canonical SMILES for 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole is Clc1cccc(-c2cn[nH]n2)c1CCC1CCCC1.
What is the InChIKey of 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole?
The InChIKey is PFAMADRBVMBNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-14-7-3-6-13(15-10-17-19-18-15)12(14)9-8-11-4-1-2-5-11/h3,6-7,10-11H,1-2,4-5,8-9H2,(H,17,18,19).
What are the key properties of 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole?
4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole has a molecular weight of 275.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(2-cyclopentylethyl)phenyl]-2H-triazole is sourced from PubChem (CID 155532757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).