3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide

C18H24N4O3 — CID 54584484

IUPAC3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1cccc(-n2ncc(=O)[nH]c2=O)c1
InChIInChI=1S/C18H24N4O3/c1-3-5-7-13(4-2)11-19-17(24)14-8-6-9-15(10-14)22-18(25)21-16(23)12-20-22/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H,19,24)(H,21,23,25)
InChIKeyUIKNZDMPWUUABG-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.87
Rot. Bonds8

About 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide

3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide (PubChem CID 54584484) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide
PubChem CID54584484
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide
SMILESCCCCC(CC)CNC(=O)c1cccc(-n2ncc(=O)[nH]c2=O)c1
InChIInChI=1S/C18H24N4O3/c1-3-5-7-13(4-2)11-19-17(24)14-8-6-9-15(10-14)22-18(25)21-16(23)12-20-22/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H,19,24)(H,21,23,25)
InChIKeyUIKNZDMPWUUABG-UHFFFAOYSA-N
XLogP1.87
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide?
The IUPAC name of 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide (CID 54584484) is 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide.
What is the SMILES notation for 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide?
The canonical SMILES for 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide is CCCCC(CC)CNC(=O)c1cccc(-n2ncc(=O)[nH]c2=O)c1.
What is the InChIKey of 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide?
The InChIKey is UIKNZDMPWUUABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-5-7-13(4-2)11-19-17(24)14-8-6-9-15(10-14)22-18(25)21-16(23)12-20-22/h6,8-10,12-13H,3-5,7,11H2,1-2H3,(H,19,24)(H,21,23,25).
What are the key properties of 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide?
3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide has a molecular weight of 344.42 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-1,2,4-triazin-2-yl)-N-(2-ethylhexyl)benzamide is sourced from PubChem (CID 54584484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).