4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one

C13H14N4OS — CID 7196621

IUPAC4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one
SMILESCc1nnc(SC/C=C/c2ccccc2)n(N)c1=O
InChIInChI=1S/C13H14N4OS/c1-10-12(18)17(14)13(16-15-10)19-9-5-8-11-6-3-2-4-7-11/h2-8H,9,14H2,1H3/b8-5+
InChIKeyXCTZPYRJRZJTSV-VMPITWQZSA-N
MW274.35 g/mol
LogP1.47
Rot. Bonds4

About 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one

4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one (PubChem CID 7196621) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one
PubChem CID7196621
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one
SMILESCc1nnc(SC/C=C/c2ccccc2)n(N)c1=O
InChIInChI=1S/C13H14N4OS/c1-10-12(18)17(14)13(16-15-10)19-9-5-8-11-6-3-2-4-7-11/h2-8H,9,14H2,1H3/b8-5+
InChIKeyXCTZPYRJRZJTSV-VMPITWQZSA-N
XLogP1.47
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one (CID 7196621) is 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one is Cc1nnc(SC/C=C/c2ccccc2)n(N)c1=O.
What is the InChIKey of 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one?
The InChIKey is XCTZPYRJRZJTSV-VMPITWQZSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-10-12(18)17(14)13(16-15-10)19-9-5-8-11-6-3-2-4-7-11/h2-8H,9,14H2,1H3/b8-5+.
What are the key properties of 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one?
4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one has a molecular weight of 274.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 7196621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).