5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine

C17H15N3S — CID 11022739

IUPAC5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(-c2ccc(-c3ccc(C)cc3)cc2)n1
InChIInChI=1S/C17H15N3S/c1-12-3-5-13(6-4-12)14-7-9-15(10-8-14)16-11-18-20-17(19-16)21-2/h3-11H,1-2H3
InChIKeyKTWVSYGOKCYSKV-UHFFFAOYSA-N
MW293.40 g/mol
LogP4.24
Rot. Bonds3

About 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine

5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine (PubChem CID 11022739) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine.

Molecular Properties

Compound Name5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine
PubChem CID11022739
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine
SMILESCSc1nncc(-c2ccc(-c3ccc(C)cc3)cc2)n1
InChIInChI=1S/C17H15N3S/c1-12-3-5-13(6-4-12)14-7-9-15(10-8-14)16-11-18-20-17(19-16)21-2/h3-11H,1-2H3
InChIKeyKTWVSYGOKCYSKV-UHFFFAOYSA-N
XLogP4.24
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine
CID 12853065
5-methyl-3-methylsulfanyl-1,2,4-triazine
CID 12503454
5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine
CID 118473829
magnesium;methylbenzene;5-(4-methylphenyl)-3-methylsulfanyl-2,5-dihydro-1,2,4-triazine;5-(4-methylphenyl)-3-methylsulfanyl-1,2,4-triazine;3-methylsulfanyl-1,2,4-triazine;bromide
CID 158144812
3-methylsulfanyl-5-(3-prop-2-ynylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
CID 164626362
5-(4-methylphenyl)-3-methylsulfanyl-6-pyridin-3-yl-1,2,4-triazine
CID 67430647
3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
CID 155565039
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
CID 155556746
2,2,2-trifluoro-N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]acetohydrazide
CID 3053958
6,7-dichloro-2-(4-methylphenyl)quinoxaline
CID 171478071
3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
CID 15564624

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine?
The IUPAC name of 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine (CID 11022739) is 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine.
What is the SMILES notation for 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine?
The canonical SMILES for 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine is CSc1nncc(-c2ccc(-c3ccc(C)cc3)cc2)n1.
What is the InChIKey of 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine?
The InChIKey is KTWVSYGOKCYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-12-3-5-13(6-4-12)14-7-9-15(10-8-14)16-11-18-20-17(19-16)21-2/h3-11H,1-2H3.
What are the key properties of 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine?
5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine has a molecular weight of 293.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine is sourced from PubChem (CID 11022739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).