2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide

C15H16F2N4OS — CID 6411326

IUPAC2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
SMILESCCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)nc1CC
InChIInChI=1S/C15H16F2N4OS/c1-3-12-13(4-2)20-21-15(19-12)23-8-14(22)18-9-5-6-10(16)11(17)7-9/h5-7H,3-4,8H2,1-2H3,(H,18,22)
InChIKeyNOFRUHHQMJXOOU-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.01
Rot. Bonds6

About 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide

2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 6411326) has the molecular formula C15H16F2N4OS and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
PubChem CID6411326
Molecular FormulaC15H16F2N4OS
Molecular Weight338.38 g/mol
Exact Mass338.10
IUPAC Name2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
SMILESCCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)nc1CC
InChIInChI=1S/C15H16F2N4OS/c1-3-12-13(4-2)20-21-15(19-12)23-8-14(22)18-9-5-6-10(16)11(17)7-9/h5-7H,3-4,8H2,1-2H3,(H,18,22)
InChIKeyNOFRUHHQMJXOOU-UHFFFAOYSA-N
XLogP3.01
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide (CID 6411326) is 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide is CCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)nc1CC.
What is the InChIKey of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is NOFRUHHQMJXOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4OS/c1-3-12-13(4-2)20-21-15(19-12)23-8-14(22)18-9-5-6-10(16)11(17)7-9/h5-7H,3-4,8H2,1-2H3,(H,18,22).
What are the key properties of 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide?
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 338.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 6411326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).