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

C18H18N4O2S — CID 135543861

IUPACN-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1nnc(C)c(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C18H18N4O2S/c1-3-22(15-10-6-8-13-7-4-5-9-14(13)15)16(23)11-25-18-19-17(24)12(2)20-21-18/h4-10H,3,11H2,1-2H3,(H,19,21,24)
InChIKeyDXEDYCQIEPHQEY-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.77
Rot. Bonds5

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

N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 135543861) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID135543861
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CSc1nnc(C)c(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C18H18N4O2S/c1-3-22(15-10-6-8-13-7-4-5-9-14(13)15)16(23)11-25-18-19-17(24)12(2)20-21-18/h4-10H,3,11H2,1-2H3,(H,19,21,24)
InChIKeyDXEDYCQIEPHQEY-UHFFFAOYSA-N
XLogP2.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide (CID 135543861) is N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide is CCN(C(=O)CSc1nnc(C)c(=O)[nH]1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is DXEDYCQIEPHQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-3-22(15-10-6-8-13-7-4-5-9-14(13)15)16(23)11-25-18-19-17(24)12(2)20-21-18/h4-10H,3,11H2,1-2H3,(H,19,21,24).
What are the key properties of N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 354.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 135543861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).