4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline

C14H16N4S — CID 6409773

IUPAC4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
SMILESCSc1nnc(C)c(/C=C/Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H16N4S/c1-10-4-6-12(7-5-10)15-9-8-13-11(2)17-18-14(16-13)19-3/h4-9,15H,1-3H3/b9-8+
InChIKeyBSKBIDKLFKEAEN-CMDGGOBGSA-N
MW272.38 g/mol
LogP3.29
Rot. Bonds4

About 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline

4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline (PubChem CID 6409773) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
PubChem CID6409773
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
SMILESCSc1nnc(C)c(/C=C/Nc2ccc(C)cc2)n1
InChIInChI=1S/C14H16N4S/c1-10-4-6-12(7-5-10)15-9-8-13-11(2)17-18-14(16-13)19-3/h4-9,15H,1-3H3/b9-8+
InChIKeyBSKBIDKLFKEAEN-CMDGGOBGSA-N
XLogP3.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline?
The IUPAC name of 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline (CID 6409773) is 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline.
What is the SMILES notation for 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline?
The canonical SMILES for 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline is CSc1nnc(C)c(/C=C/Nc2ccc(C)cc2)n1.
What is the InChIKey of 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline?
The InChIKey is BSKBIDKLFKEAEN-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10-4-6-12(7-5-10)15-9-8-13-11(2)17-18-14(16-13)19-3/h4-9,15H,1-3H3/b9-8+.
What are the key properties of 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline?
4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline has a molecular weight of 272.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline is sourced from PubChem (CID 6409773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).