2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine

C8H9N5S — CID 170079900

IUPAC2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine
SMILESCSc1nccnc1-n1cnc(C)n1
InChIInChI=1S/C8H9N5S/c1-6-11-5-13(12-6)7-8(14-2)10-4-3-9-7/h3-5H,1-2H3
InChIKeySQFBVIYROKSCMR-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.09
Rot. Bonds2

About 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine

2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine (PubChem CID 170079900) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine
PubChem CID170079900
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine
SMILESCSc1nccnc1-n1cnc(C)n1
InChIInChI=1S/C8H9N5S/c1-6-11-5-13(12-6)7-8(14-2)10-4-3-9-7/h3-5H,1-2H3
InChIKeySQFBVIYROKSCMR-UHFFFAOYSA-N
XLogP1.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine (CID 170079900) is 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine is CSc1nccnc1-n1cnc(C)n1.
What is the InChIKey of 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine?
The InChIKey is SQFBVIYROKSCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-6-11-5-13(12-6)7-8(14-2)10-4-3-9-7/h3-5H,1-2H3.
What are the key properties of 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine?
2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine has a molecular weight of 207.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-(3-methyl-1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 170079900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).