6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine

C16H13N3S — CID 14740710

IUPAC6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine
SMILESCSc1nnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H13N3S/c1-20-16-14(12-8-4-2-5-9-12)17-15(18-19-16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyRQTNRRZJEOVMCZ-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.93
Rot. Bonds3

About 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine

6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine (PubChem CID 14740710) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine.

Molecular Properties

Compound Name6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine
PubChem CID14740710
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine
SMILESCSc1nnc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H13N3S/c1-20-16-14(12-8-4-2-5-9-12)17-15(18-19-16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyRQTNRRZJEOVMCZ-UHFFFAOYSA-N
XLogP3.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
CID 158126148
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
CID 15564624
N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine
CID 6403262
(3,6-diphenyl-1,2,4-triazin-5-yl)hydrazine
CID 6405036
5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole
CID 21435653
4-methyl-2,6-diphenylpyrimidin-5-ol
CID 135012179
4-chloro-5-ethyl-6-methylsulfanyl-2-phenylpyrimidine
CID 176849205
[6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-yl]hydrazine
CID 6405039
6-methylsulfanyl-5-nitroso-2-phenylpyrimidin-4-amine
CID 134891752
5-methylsulfanyl-4-phenylthiadiazole
CID 1473996

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine?
The IUPAC name of 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine (CID 14740710) is 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine.
What is the SMILES notation for 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine?
The canonical SMILES for 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine is CSc1nnc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine?
The InChIKey is RQTNRRZJEOVMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c1-20-16-14(12-8-4-2-5-9-12)17-15(18-19-16)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine?
6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine has a molecular weight of 279.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine is sourced from PubChem (CID 14740710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).