2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine

C11H16ClN3OS — CID 63119703

IUPAC2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(SCC2CCCC2)n1
InChIInChI=1S/C11H16ClN3OS/c1-2-16-10-13-9(12)14-11(15-10)17-7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyXNLORCTWFJAJKJ-UHFFFAOYSA-N
MW273.79 g/mol
LogP3.21
Rot. Bonds5

About 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine

2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine (PubChem CID 63119703) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine
PubChem CID63119703
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(SCC2CCCC2)n1
InChIInChI=1S/C11H16ClN3OS/c1-2-16-10-13-9(12)14-11(15-10)17-7-8-5-3-4-6-8/h8H,2-7H2,1H3
InChIKeyXNLORCTWFJAJKJ-UHFFFAOYSA-N
XLogP3.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine 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-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine (CID 63119703) is 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine is CCOc1nc(Cl)nc(SCC2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine?
The InChIKey is XNLORCTWFJAJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-2-16-10-13-9(12)14-11(15-10)17-7-8-5-3-4-6-8/h8H,2-7H2,1H3.
What are the key properties of 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine?
2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine has a molecular weight of 273.79 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(cyclopentylmethylsulfanyl)-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 63119703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).