2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine

C8H8ClN5S — CID 63402391

IUPAC2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESCc1nnc(Sc2cncc(Cl)n2)n1C
InChIInChI=1S/C8H8ClN5S/c1-5-12-13-8(14(5)2)15-7-4-10-3-6(9)11-7/h3-4H,1-2H3
InChIKeyXNAOCIOEPSCDMZ-UHFFFAOYSA-N
MW241.71 g/mol
LogP1.72
Rot. Bonds2

About 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine

2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (PubChem CID 63402391) has the molecular formula C8H8ClN5S and a molecular weight of 241.71 g/mol. Its IUPAC name is 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
PubChem CID63402391
Molecular FormulaC8H8ClN5S
Molecular Weight241.71 g/mol
Exact Mass241.02
IUPAC Name2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESCc1nnc(Sc2cncc(Cl)n2)n1C
InChIInChI=1S/C8H8ClN5S/c1-5-12-13-8(14(5)2)15-7-4-10-3-6(9)11-7/h3-4H,1-2H3
InChIKeyXNAOCIOEPSCDMZ-UHFFFAOYSA-N
XLogP1.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.71
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The IUPAC name of 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (CID 63402391) is 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.
What is the SMILES notation for 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The canonical SMILES for 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is Cc1nnc(Sc2cncc(Cl)n2)n1C.
What is the InChIKey of 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The InChIKey is XNAOCIOEPSCDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5S/c1-5-12-13-8(14(5)2)15-7-4-10-3-6(9)11-7/h3-4H,1-2H3.
What are the key properties of 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine has a molecular weight of 241.71 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is sourced from PubChem (CID 63402391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).