2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine

C8H9N5S — CID 655445

IUPAC2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine
SMILESCSc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C8H9N5S/c1-13-7(11-12-8(13)14-2)6-5-9-3-4-10-6/h3-5H,1-2H3
InChIKeyAWPWKMWFORIFDA-UHFFFAOYSA-N
MW207.26 g/mol
LogP0.99
Rot. Bonds2

About 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine

2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine (PubChem CID 655445) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine
PubChem CID655445
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC Name2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine
SMILESCSc1nnc(-c2cnccn2)n1C
InChIInChI=1S/C8H9N5S/c1-13-7(11-12-8(13)14-2)6-5-9-3-4-10-6/h3-5H,1-2H3
InChIKeyAWPWKMWFORIFDA-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine (CID 655445) is 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine is CSc1nnc(-c2cnccn2)n1C.
What is the InChIKey of 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is AWPWKMWFORIFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-13-7(11-12-8(13)14-2)6-5-9-3-4-10-6/h3-5H,1-2H3.
What are the key properties of 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine?
2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 207.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 655445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).