[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol

C11H12F3N3O — CID 114490524

IUPAC[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol
SMILESOCc1ccc(N2CC=C(C(F)(F)F)CC2)nn1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)8-3-5-17(6-4-8)10-2-1-9(7-18)15-16-10/h1-3,18H,4-7H2
InChIKeyWUAWPAABVCIGNW-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.67
Rot. Bonds2

About [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol

[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol (PubChem CID 114490524) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol
PubChem CID114490524
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol
SMILESOCc1ccc(N2CC=C(C(F)(F)F)CC2)nn1
InChIInChI=1S/C11H12F3N3O/c12-11(13,14)8-3-5-17(6-4-8)10-2-1-9(7-18)15-16-10/h1-3,18H,4-7H2
InChIKeyWUAWPAABVCIGNW-UHFFFAOYSA-N
XLogP1.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol?
The IUPAC name of [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol (CID 114490524) is [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol is OCc1ccc(N2CC=C(C(F)(F)F)CC2)nn1.
What is the InChIKey of [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol?
The InChIKey is WUAWPAABVCIGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c12-11(13,14)8-3-5-17(6-4-8)10-2-1-9(7-18)15-16-10/h1-3,18H,4-7H2.
What are the key properties of [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol?
[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol has a molecular weight of 259.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methanol is sourced from PubChem (CID 114490524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).