6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one

C14H17N3OS — CID 135516942

IUPAC6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one
SMILESCc1cc(C)c(CSc2nnc(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H17N3OS/c1-8-5-10(3)12(6-9(8)2)7-19-14-15-13(18)11(4)16-17-14/h5-6H,7H2,1-4H3,(H,15,17,18)
InChIKeyUDEJTQDPDRNUMA-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.69
Rot. Bonds3

About 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one

6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one (PubChem CID 135516942) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one
PubChem CID135516942
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one
SMILESCc1cc(C)c(CSc2nnc(C)c(=O)[nH]2)cc1C
InChIInChI=1S/C14H17N3OS/c1-8-5-10(3)12(6-9(8)2)7-19-14-15-13(18)11(4)16-17-14/h5-6H,7H2,1-4H3,(H,15,17,18)
InChIKeyUDEJTQDPDRNUMA-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-propylsulfanyl-4H-1,2,4-triazin-5-one
CID 135453711
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetonitrile
CID 137030713
6-methyl-3-(2-phenylethylsulfanyl)-4H-1,2,4-triazin-5-one
CID 135399067
6-methyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-4H-1,2,4-triazin-5-one
CID 135449345
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
CID 135760631
N-tert-butyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135456372
N-(4-acetylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135437935
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 135441944
N-(3-acetamidophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135490028
N-(4-chlorophenyl)-4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanylmethyl]benzamide
CID 135669314
3-[3-[(2-methylphenyl)methylsulfanyl]-5-oxo-4H-1,2,4-triazin-6-yl]propanoate
CID 135686474
6-methyl-3-(2-morpholin-4-ylethylsulfanyl)-4H-1,2,4-triazin-5-one
CID 136687665

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one (CID 135516942) is 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one is Cc1cc(C)c(CSc2nnc(C)c(=O)[nH]2)cc1C.
What is the InChIKey of 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one?
The InChIKey is UDEJTQDPDRNUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-8-5-10(3)12(6-9(8)2)7-19-14-15-13(18)11(4)16-17-14/h5-6H,7H2,1-4H3,(H,15,17,18).
What are the key properties of 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one?
6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one has a molecular weight of 275.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(2,4,5-trimethylphenyl)methylsulfanyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135516942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).