2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide

C17H22N4O2S — CID 136687636

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(Sc1nnc(C)c(=O)[nH]1)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C17H22N4O2S/c1-6-13(24-17-19-15(22)12(5)20-21-17)16(23)18-14-10(3)7-9(2)8-11(14)4/h7-8,13H,6H2,1-5H3,(H,18,23)(H,19,21,22)
InChIKeyNZEHIACLTJHYPS-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.91
Rot. Bonds5

About 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 136687636) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID136687636
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(Sc1nnc(C)c(=O)[nH]1)C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C17H22N4O2S/c1-6-13(24-17-19-15(22)12(5)20-21-17)16(23)18-14-10(3)7-9(2)8-11(14)4/h7-8,13H,6H2,1-5H3,(H,18,23)(H,19,21,22)
InChIKeyNZEHIACLTJHYPS-UHFFFAOYSA-N
XLogP2.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide with MolForge

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Related Compounds

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-methylphenyl)butanamide
CID 136687641
(2S)-2-[[5-oxo-6-[2-(propanoylamino)phenyl]-4H-1,2,4-triazin-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 136777264
(2R)-2-[[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N-(2-chlorophenyl)butanamide
CID 136777193
2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 20890966
(2R)-2-[[6-(2-acetamido-3,5-dimethylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 136777186
(2S)-2-[[5-oxo-6-[2-(propanoylamino)phenyl]-4H-1,2,4-triazin-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 136919268
N-(2,5-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136685411
(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552583
2-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide
CID 21013316
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylpropanamide
CID 135417581
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136685408
(2R)-N-(2,5-difluorophenyl)-2-[[6-[5-methyl-2-(propanoylamino)phenyl]-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]butanamide
CID 136829332

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide (CID 136687636) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide is CCC(Sc1nnc(C)c(=O)[nH]1)C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is NZEHIACLTJHYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-6-13(24-17-19-15(22)12(5)20-21-17)16(23)18-14-10(3)7-9(2)8-11(14)4/h7-8,13H,6H2,1-5H3,(H,18,23)(H,19,21,22).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 346.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 136687636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).