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

C18H18N4O2S — CID 135403906

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide
SMILESCCC(Sc1nnc(C)c(=O)[nH]1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H18N4O2S/c1-3-15(25-18-20-16(23)11(2)21-22-18)17(24)19-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,3H2,1-2H3,(H,19,24)(H,20,22,23)
InChIKeyDQDGDXQICZPJBP-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.14
Rot. Bonds5

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

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide (PubChem CID 135403906) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide
PubChem CID135403906
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide
SMILESCCC(Sc1nnc(C)c(=O)[nH]1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C18H18N4O2S/c1-3-15(25-18-20-16(23)11(2)21-22-18)17(24)19-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,3H2,1-2H3,(H,19,24)(H,20,22,23)
InChIKeyDQDGDXQICZPJBP-UHFFFAOYSA-N
XLogP3.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4-Hydroxy-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-acetamide
CID 860083
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-1-yl-propionamide
CID 6501406
2-(4-Methoxy-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-N-naphthalen-2-yl-propionamide
CID 6501425
N-{2-[5-Hydroxy-3-(pentylsulfanyl)-1,2,4-triazin-6-YL]phenyl}acetamide
CID 135460602
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide
CID 135479063
N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 135543861
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1307031
2-(8-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7259110
2-[(5-benzyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-(2,3-dimethylphenyl)acetamide
CID 135413895
2-(5-Hydroxy-6-methyl-[1,2,4]triazin-3-ylsulfanyl)-N-o-tolyl-acetamide
CID 135437943
2-{[4-hydroxy-1-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
CID 135439312
N-(3,4-dimethylphenyl)-2-[(6-methyl-5-oxo-2H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135472820

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide (CID 135403906) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide is CCC(Sc1nnc(C)c(=O)[nH]1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide?
The InChIKey is DQDGDXQICZPJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-15(25-18-20-16(23)11(2)21-22-18)17(24)19-14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,3H2,1-2H3,(H,19,24)(H,20,22,23).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylbutanamide has a molecular weight of 354.44 g/mol, XLogP of 3.14, 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-naphthalen-1-ylbutanamide is sourced from PubChem (CID 135403906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).