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

C14H16N4OS — CID 6409765

IUPAC4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
SMILESCOc1ccc(N/C=C/c2nc(SC)nnc2C)cc1
InChIInChI=1S/C14H16N4OS/c1-10-13(16-14(20-3)18-17-10)8-9-15-11-4-6-12(19-2)7-5-11/h4-9,15H,1-3H3/b9-8+
InChIKeyOKQCUJDGJXQYDB-CMDGGOBGSA-N
MW288.38 g/mol
LogP2.99
Rot. Bonds5

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

4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline (PubChem CID 6409765) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
PubChem CID6409765
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline
SMILESCOc1ccc(N/C=C/c2nc(SC)nnc2C)cc1
InChIInChI=1S/C14H16N4OS/c1-10-13(16-14(20-3)18-17-10)8-9-15-11-4-6-12(19-2)7-5-11/h4-9,15H,1-3H3/b9-8+
InChIKeyOKQCUJDGJXQYDB-CMDGGOBGSA-N
XLogP2.99
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline?
The IUPAC name of 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline (CID 6409765) is 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline?
The canonical SMILES for 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline is COc1ccc(N/C=C/c2nc(SC)nnc2C)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline?
The InChIKey is OKQCUJDGJXQYDB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-13(16-14(20-3)18-17-10)8-9-15-11-4-6-12(19-2)7-5-11/h4-9,15H,1-3H3/b9-8+.
What are the key properties of 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline?
4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline has a molecular weight of 288.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-2-(6-methyl-3-methylsulfanyl-1,2,4-triazin-5-yl)ethenyl]aniline is sourced from PubChem (CID 6409765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).