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

C9H12ClN3OS — CID 63115014

IUPAC2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(SC2CCCC2)n1
InChIInChI=1S/C9H12ClN3OS/c1-14-8-11-7(10)12-9(13-8)15-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyUJMHPRXXCQKGLM-UHFFFAOYSA-N
MW245.73 g/mol
LogP2.57
Rot. Bonds3

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

2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine (PubChem CID 63115014) has the molecular formula C9H12ClN3OS and a molecular weight of 245.73 g/mol. Its IUPAC name is 2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine
PubChem CID63115014
Molecular FormulaC9H12ClN3OS
Molecular Weight245.73 g/mol
Exact Mass245.04
IUPAC Name2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine
SMILESCOc1nc(Cl)nc(SC2CCCC2)n1
InChIInChI=1S/C9H12ClN3OS/c1-14-8-11-7(10)12-9(13-8)15-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyUJMHPRXXCQKGLM-UHFFFAOYSA-N
XLogP2.57
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 52.57
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-methoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine (CID 63115014) is 2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine is COc1nc(Cl)nc(SC2CCCC2)n1.
What is the InChIKey of 2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine?
The InChIKey is UJMHPRXXCQKGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3OS/c1-14-8-11-7(10)12-9(13-8)15-6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of 2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine?
2-chloro-4-cyclopentylsulfanyl-6-methoxy-1,3,5-triazine has a molecular weight of 245.73 g/mol, XLogP of 2.57, 3 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-methoxy-1,3,5-triazine is sourced from PubChem (CID 63115014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).