2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide

C20H24N6O2S — CID 135402179

IUPAC2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1nn(-c2nnc(C)c(=O)[nH]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24N6O2S/c1-11(2)15-6-8-16(9-7-15)21-17(27)10-29-18-12(3)25-26(14(18)5)20-22-19(28)13(4)23-24-20/h6-9,11H,10H2,1-5H3,(H,21,27)(H,22,24,28)
InChIKeyZSDGRXJQEOMTDM-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.13
Rot. Bonds6

About 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide

2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 135402179) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID135402179
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCc1nn(-c2nnc(C)c(=O)[nH]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C20H24N6O2S/c1-11(2)15-6-8-16(9-7-15)21-17(27)10-29-18-12(3)25-26(14(18)5)20-22-19(28)13(4)23-24-20/h6-9,11H,10H2,1-5H3,(H,21,27)(H,22,24,28)
InChIKeyZSDGRXJQEOMTDM-UHFFFAOYSA-N
XLogP3.13
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide with MolForge

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Related Compounds

3-methyl-N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butanamide
CID 756241
2-{[3,5-dimethyl-1-(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)-1H-pyrazol-4-yl]thio}-N-(4-fluorophenyl)acetamide
CID 135427597
6-methyl-3-(methylsulfanyl)-1-[4-(propan-2-yl)phenyl]-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402896
1-(4-Ethylphenyl)-3-methyl-4-(2-methylphenyl)-1H,4H,6H,7H,8H-pyrazolo[3,4-E][1,4]thiazepin-7-one
CID 135546828
2-(3,5-dimethylpyrazol-1-yl)-4-(4-methylsulfonylphenyl)-1H-pyrimidin-6-one
CID 162675756
N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 756261
2-ethyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756284
N-(2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butyramide
CID 3315959
N-(2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 3439000
N-(2-(2,4-dimethylphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 3470024
N-(2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
CID 4096088
N-(2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 4099168

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide (CID 135402179) is 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide is Cc1nn(-c2nnc(C)c(=O)[nH]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is ZSDGRXJQEOMTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-11(2)15-6-8-16(9-7-15)21-17(27)10-29-18-12(3)25-26(14(18)5)20-22-19(28)13(4)23-24-20/h6-9,11H,10H2,1-5H3,(H,21,27)(H,22,24,28).
What are the key properties of 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide?
2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)pyrazol-4-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 135402179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).