2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

C15H19N5O2S — CID 35759792

IUPAC2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1nnc(SCC(=O)NCc2ccc(C)cc2)n(N)c1=O
InChIInChI=1S/C15H19N5O2S/c1-3-12-14(22)20(16)15(19-18-12)23-9-13(21)17-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9,16H2,1-2H3,(H,17,21)
InChIKeyKZBIMHVMZDZUCF-UHFFFAOYSA-N
MW333.42 g/mol
LogP0.63
Rot. Bonds6

About 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide

2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 35759792) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID35759792
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCc1nnc(SCC(=O)NCc2ccc(C)cc2)n(N)c1=O
InChIInChI=1S/C15H19N5O2S/c1-3-12-14(22)20(16)15(19-18-12)23-9-13(21)17-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9,16H2,1-2H3,(H,17,21)
InChIKeyKZBIMHVMZDZUCF-UHFFFAOYSA-N
XLogP0.63
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (CID 35759792) is 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is CCc1nnc(SCC(=O)NCc2ccc(C)cc2)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is KZBIMHVMZDZUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-3-12-14(22)20(16)15(19-18-12)23-9-13(21)17-8-11-6-4-10(2)5-7-11/h4-7H,3,8-9,16H2,1-2H3,(H,17,21).
What are the key properties of 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 333.42 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-ethyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 35759792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).