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

C7H7N5S — CID 170079985

IUPAC2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine
SMILESCSc1nccnc1-n1cncn1
InChIInChI=1S/C7H7N5S/c1-13-7-6(9-2-3-10-7)12-5-8-4-11-12/h2-5H,1H3
InChIKeyZPAUJBWRPCJGNX-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.78
Rot. Bonds2

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

2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine (PubChem CID 170079985) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine
PubChem CID170079985
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC Name2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine
SMILESCSc1nccnc1-n1cncn1
InChIInChI=1S/C7H7N5S/c1-13-7-6(9-2-3-10-7)12-5-8-4-11-12/h2-5H,1H3
InChIKeyZPAUJBWRPCJGNX-UHFFFAOYSA-N
XLogP0.78
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine?
The IUPAC name of 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine (CID 170079985) is 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine.
What is the SMILES notation for 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine?
The canonical SMILES for 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine is CSc1nccnc1-n1cncn1.
What is the InChIKey of 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine?
The InChIKey is ZPAUJBWRPCJGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c1-13-7-6(9-2-3-10-7)12-5-8-4-11-12/h2-5H,1H3.
What are the key properties of 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine?
2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine has a molecular weight of 193.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-(1,2,4-triazol-1-yl)pyrazine is sourced from PubChem (CID 170079985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).