2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H12F3N3O4 — CID 107483404

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O4/c11-10(12,13)6-15(3-4-17)9(20)5-16-8(19)2-1-7(18)14-16/h1-2,17H,3-6H2,(H,14,18)
InChIKeyYUKWDJZHMGLDJB-UHFFFAOYSA-N
MW295.22 g/mol
LogP-1.08
Rot. Bonds5

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107483404) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107483404
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H12F3N3O4/c11-10(12,13)6-15(3-4-17)9(20)5-16-8(19)2-1-7(18)14-16/h1-2,17H,3-6H2,(H,14,18)
InChIKeyYUKWDJZHMGLDJB-UHFFFAOYSA-N
XLogP-1.08
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107483404) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YUKWDJZHMGLDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c11-10(12,13)6-15(3-4-17)9(20)5-16-8(19)2-1-7(18)14-16/h1-2,17H,3-6H2,(H,14,18).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 295.22 g/mol, XLogP of -1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107483404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).