2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

C15H14N4S — CID 1435169

IUPAC2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
SMILESCn1c(SCc2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C15H14N4S/c1-19-14(12-7-3-2-4-8-12)17-18-15(19)20-11-13-9-5-6-10-16-13/h2-10H,11H2,1H3
InChIKeyNCQIBNYNFOGOTC-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.17
Rot. Bonds4

About 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (PubChem CID 1435169) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
PubChem CID1435169
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
SMILESCn1c(SCc2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C15H14N4S/c1-19-14(12-7-3-2-4-8-12)17-18-15(19)20-11-13-9-5-6-10-16-13/h2-10H,11H2,1H3
InChIKeyNCQIBNYNFOGOTC-UHFFFAOYSA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The IUPAC name of 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (CID 1435169) is 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is Cn1c(SCc2ccccn2)nnc1-c1ccccc1.
What is the InChIKey of 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The InChIKey is NCQIBNYNFOGOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-19-14(12-7-3-2-4-8-12)17-18-15(19)20-11-13-9-5-6-10-16-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine has a molecular weight of 282.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 1435169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).