2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide

C11H10N4O3 — CID 67935374

IUPAC2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1-n1ncc(=O)[nH]c1=O
InChIInChI=1S/C11H10N4O3/c12-9(16)5-7-3-1-2-4-8(7)15-11(18)14-10(17)6-13-15/h1-4,6H,5H2,(H2,12,16)(H,14,17,18)
InChIKeyRSLVBKIXIONTOO-UHFFFAOYSA-N
MW246.23 g/mol
LogP-1.05
Rot. Bonds3

About 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide

2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide (PubChem CID 67935374) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide
PubChem CID67935374
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1-n1ncc(=O)[nH]c1=O
InChIInChI=1S/C11H10N4O3/c12-9(16)5-7-3-1-2-4-8(7)15-11(18)14-10(17)6-13-15/h1-4,6H,5H2,(H2,12,16)(H,14,17,18)
InChIKeyRSLVBKIXIONTOO-UHFFFAOYSA-N
XLogP-1.05
TPSA110.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide (CID 67935374) is 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide is NC(=O)Cc1ccccc1-n1ncc(=O)[nH]c1=O.
What is the InChIKey of 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide?
The InChIKey is RSLVBKIXIONTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c12-9(16)5-7-3-1-2-4-8(7)15-11(18)14-10(17)6-13-15/h1-4,6H,5H2,(H2,12,16)(H,14,17,18).
What are the key properties of 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide?
2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide has a molecular weight of 246.23 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetamide is sourced from PubChem (CID 67935374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).