2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine

C16H11N5S2 — CID 2539904

IUPAC2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESc1ccc(-n2c(Sc3cnccn3)nnc2-c2cccs2)cc1
InChIInChI=1S/C16H11N5S2/c1-2-5-12(6-3-1)21-15(13-7-4-10-22-13)19-20-16(21)23-14-11-17-8-9-18-14/h1-11H
InChIKeyPBBHPRBTMFCMFR-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.94
Rot. Bonds4

About 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine

2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (PubChem CID 2539904) has the molecular formula C16H11N5S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.

Molecular Properties

Compound Name2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
PubChem CID2539904
Molecular FormulaC16H11N5S2
Molecular Weight337.43 g/mol
Exact Mass337.05
IUPAC Name2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine
SMILESc1ccc(-n2c(Sc3cnccn3)nnc2-c2cccs2)cc1
InChIInChI=1S/C16H11N5S2/c1-2-5-12(6-3-1)21-15(13-7-4-10-22-13)19-20-16(21)23-14-11-17-8-9-18-14/h1-11H
InChIKeyPBBHPRBTMFCMFR-UHFFFAOYSA-N
XLogP3.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The IUPAC name of 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine (CID 2539904) is 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine.
What is the SMILES notation for 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The canonical SMILES for 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is c1ccc(-n2c(Sc3cnccn3)nnc2-c2cccs2)cc1.
What is the InChIKey of 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
The InChIKey is PBBHPRBTMFCMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5S2/c1-2-5-12(6-3-1)21-15(13-7-4-10-22-13)19-20-16(21)23-14-11-17-8-9-18-14/h1-11H.
What are the key properties of 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine?
2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine has a molecular weight of 337.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine is sourced from PubChem (CID 2539904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).