2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine

C10H14ClN3OS — CID 63115002

IUPAC2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(SC2CCCC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-2-15-9-12-8(11)13-10(14-9)16-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyIYCADVJOKUJNMP-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.96
Rot. Bonds4

About 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine

2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine (PubChem CID 63115002) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine
PubChem CID63115002
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(SC2CCCC2)n1
InChIInChI=1S/C10H14ClN3OS/c1-2-15-9-12-8(11)13-10(14-9)16-7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyIYCADVJOKUJNMP-UHFFFAOYSA-N
XLogP2.96
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine (CID 63115002) is 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine is CCOc1nc(Cl)nc(SC2CCCC2)n1.
What is the InChIKey of 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine?
The InChIKey is IYCADVJOKUJNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-2-15-9-12-8(11)13-10(14-9)16-7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine?
2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine has a molecular weight of 259.76 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclopentylsulfanyl-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 63115002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).