2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

C7H7ClN6S — CID 62866145

IUPAC2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESCCSc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C7H7ClN6S/c1-2-15-7-12-5(8)11-6(13-7)14-4-9-3-10-14/h3-4H,2H2,1H3
InChIKeyOEDUVHAGFXLQNU-UHFFFAOYSA-N
MW242.70 g/mol
LogP1.22
Rot. Bonds3

About 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 62866145) has the molecular formula C7H7ClN6S and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID62866145
Molecular FormulaC7H7ClN6S
Molecular Weight242.70 g/mol
Exact Mass242.01
IUPAC Name2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESCCSc1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C7H7ClN6S/c1-2-15-7-12-5(8)11-6(13-7)14-4-9-3-10-14/h3-4H,2H2,1H3
InChIKeyOEDUVHAGFXLQNU-UHFFFAOYSA-N
XLogP1.22
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 62866145) is 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is CCSc1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is OEDUVHAGFXLQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6S/c1-2-15-7-12-5(8)11-6(13-7)14-4-9-3-10-14/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine has a molecular weight of 242.70 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethylsulfanyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62866145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).