2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine

C14H13N5S — CID 46882288

IUPAC2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCSc1cc(-c2nc(-c3ccnc(C)c3)n[nH]2)ccn1
InChIInChI=1S/C14H13N5S/c1-9-7-10(3-5-15-9)13-17-14(19-18-13)11-4-6-16-12(8-11)20-2/h3-8H,1-2H3,(H,17,18,19)
InChIKeyWZDAYXIFFGXANA-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.96
Rot. Bonds3

About 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine

2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 46882288) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID46882288
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCSc1cc(-c2nc(-c3ccnc(C)c3)n[nH]2)ccn1
InChIInChI=1S/C14H13N5S/c1-9-7-10(3-5-15-9)13-17-14(19-18-13)11-4-6-16-12(8-11)20-2/h3-8H,1-2H3,(H,17,18,19)
InChIKeyWZDAYXIFFGXANA-UHFFFAOYSA-N
XLogP2.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 46882288) is 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine is CSc1cc(-c2nc(-c3ccnc(C)c3)n[nH]2)ccn1.
What is the InChIKey of 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is WZDAYXIFFGXANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-9-7-10(3-5-15-9)13-17-14(19-18-13)11-4-6-16-12(8-11)20-2/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine?
2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 283.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(2-methylsulfanyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 46882288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).