2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine

C7H6ClN5S — CID 104603377

IUPAC2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESCn1ncnc1Sc1nccnc1Cl
InChIInChI=1S/C7H6ClN5S/c1-13-7(11-4-12-13)14-6-5(8)9-2-3-10-6/h2-4H,1H3
InChIKeyLSCKXCLBZOSAER-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.41
Rot. Bonds2

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

2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (PubChem CID 104603377) has the molecular formula C7H6ClN5S and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.

Molecular Properties

Compound Name2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
PubChem CID104603377
Molecular FormulaC7H6ClN5S
Molecular Weight227.68 g/mol
Exact Mass227.00
IUPAC Name2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESCn1ncnc1Sc1nccnc1Cl
InChIInChI=1S/C7H6ClN5S/c1-13-7(11-4-12-13)14-6-5(8)9-2-3-10-6/h2-4H,1H3
InChIKeyLSCKXCLBZOSAER-UHFFFAOYSA-N
XLogP1.41
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The IUPAC name of 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (CID 104603377) is 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.
What is the SMILES notation for 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The canonical SMILES for 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is Cn1ncnc1Sc1nccnc1Cl.
What is the InChIKey of 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The InChIKey is LSCKXCLBZOSAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c1-13-7(11-4-12-13)14-6-5(8)9-2-3-10-6/h2-4H,1H3.
What are the key properties of 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine has a molecular weight of 227.68 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is sourced from PubChem (CID 104603377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).