6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one

C10H11F3N2O2 — CID 71972038

IUPAC6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one
SMILESCOCn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C10H11F3N2O2/c1-17-5-15-9(16)7(10(11,12)13)4-8(14-15)6-2-3-6/h4,6H,2-3,5H2,1H3
InChIKeyYHSRARSSKKCELJ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.74
Rot. Bonds3

About 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one

6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 71972038) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one
PubChem CID71972038
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one
SMILESCOCn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C10H11F3N2O2/c1-17-5-15-9(16)7(10(11,12)13)4-8(14-15)6-2-3-6/h4,6H,2-3,5H2,1H3
InChIKeyYHSRARSSKKCELJ-UHFFFAOYSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one (CID 71972038) is 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one is COCn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is YHSRARSSKKCELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-17-5-15-9(16)7(10(11,12)13)4-8(14-15)6-2-3-6/h4,6H,2-3,5H2,1H3.
What are the key properties of 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 248.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(methoxymethyl)-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 71972038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).