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

C14H16N4O2S — CID 135415412

IUPACN-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N(C)Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C14H16N4O2S/c1-10-13(20)15-14(17-16-10)21-9-12(19)18(2)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,15,17,20)
InChIKeyIHSCXOSJDJCONP-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.22
Rot. Bonds5

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

N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (PubChem CID 135415412) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
PubChem CID135415412
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N(C)Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C14H16N4O2S/c1-10-13(20)15-14(17-16-10)21-9-12(19)18(2)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,15,17,20)
InChIKeyIHSCXOSJDJCONP-UHFFFAOYSA-N
XLogP1.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide (CID 135415412) is N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)N(C)Cc2ccccc2)[nH]c1=O.
What is the InChIKey of N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
The InChIKey is IHSCXOSJDJCONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-10-13(20)15-14(17-16-10)21-9-12(19)18(2)8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,15,17,20).
What are the key properties of N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide?
N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 135415412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).