1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol

C14H19F3N4O — CID 146145521

IUPAC1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2nnccc2C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)11-3-4-18-19-13(11)21-7-5-20(6-8-21)9-12(22)10-1-2-10/h3-4,10,12,22H,1-2,5-9H2
InChIKeyIEEBUIXCAGJGQZ-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.39
Rot. Bonds4

About 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol

1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol (PubChem CID 146145521) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol
PubChem CID146145521
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol
SMILESOC(CN1CCN(c2nnccc2C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)11-3-4-18-19-13(11)21-7-5-20(6-8-21)9-12(22)10-1-2-10/h3-4,10,12,22H,1-2,5-9H2
InChIKeyIEEBUIXCAGJGQZ-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The IUPAC name of 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol (CID 146145521) is 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol is OC(CN1CCN(c2nnccc2C(F)(F)F)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol?
The InChIKey is IEEBUIXCAGJGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)11-3-4-18-19-13(11)21-7-5-20(6-8-21)9-12(22)10-1-2-10/h3-4,10,12,22H,1-2,5-9H2.
What are the key properties of 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol?
1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol has a molecular weight of 316.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[4-[4-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 146145521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).