5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine

C16H14N4S — CID 67430647

IUPAC5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine
SMILESCSc1nnc(-c2cccnc2)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C16H14N4S/c1-11-5-7-12(8-6-11)14-15(13-4-3-9-17-10-13)19-20-16(18-14)21-2/h3-10H,1-2H3
InChIKeyLPZDYOQUENUYNH-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.63
Rot. Bonds3

About 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine

5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine (PubChem CID 67430647) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine
PubChem CID67430647
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine
SMILESCSc1nnc(-c2cccnc2)c(-c2ccc(C)cc2)n1
InChIInChI=1S/C16H14N4S/c1-11-5-7-12(8-6-11)14-15(13-4-3-9-17-10-13)19-20-16(18-14)21-2/h3-10H,1-2H3
InChIKeyLPZDYOQUENUYNH-UHFFFAOYSA-N
XLogP3.63
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine?
The IUPAC name of 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine (CID 67430647) is 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine.
What is the SMILES notation for 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine?
The canonical SMILES for 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine is CSc1nnc(-c2cccnc2)c(-c2ccc(C)cc2)n1.
What is the InChIKey of 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine?
The InChIKey is LPZDYOQUENUYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-11-5-7-12(8-6-11)14-15(13-4-3-9-17-10-13)19-20-16(18-14)21-2/h3-10H,1-2H3.
What are the key properties of 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine?
5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine has a molecular weight of 294.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine is sourced from PubChem (CID 67430647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).