2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H10F3N3O4 — CID 107363286

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)5(16)3-13-7(18)4-15-8(19)2-1-6(17)14-15/h1-2,5,16H,3-4H2,(H,13,18)(H,14,17)
InChIKeyGPVRMLYBPFVXHR-UHFFFAOYSA-N
MW281.19 g/mol
LogP-1.42
Rot. Bonds4

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 107363286) has the molecular formula C9H10F3N3O4 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID107363286
Molecular FormulaC9H10F3N3O4
Molecular Weight281.19 g/mol
Exact Mass281.06
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H10F3N3O4/c10-9(11,12)5(16)3-13-7(18)4-15-8(19)2-1-6(17)14-15/h1-2,5,16H,3-4H2,(H,13,18)(H,14,17)
InChIKeyGPVRMLYBPFVXHR-UHFFFAOYSA-N
XLogP-1.42
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 104857459
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 105648967
N-(2,2-difluoroethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 107482906
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 107483404
1-(3-Fluoro-2-hydroxypropyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 165595566
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 43388954
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3-hydroxypropyl)acetamide
CID 43500367
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 43500440
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 43501159
2-(3,6-dioxo-1H-pyridazin-2-yl)-N,N-bis(2-hydroxyethyl)acetamide
CID 61233604
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62333664
2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63105860

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 107363286) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is GPVRMLYBPFVXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O4/c10-9(11,12)5(16)3-13-7(18)4-15-8(19)2-1-6(17)14-15/h1-2,5,16H,3-4H2,(H,13,18)(H,14,17).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 281.19 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 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-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 107363286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).