(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde

C10H10F3N3O2 — CID 175509109

IUPAC(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC[C@@H]1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9-2-1-7(14-15-9)8-5-18-4-3-16(8)6-17/h1-2,6,8H,3-5H2/t8-/m1/s1
InChIKeyDWBQNCHAVFEBFI-MRVPVSSYSA-N
MW261.20 g/mol
LogP1.03
Rot. Bonds2

About (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde

(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde (PubChem CID 175509109) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde
PubChem CID175509109
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC[C@@H]1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)9-2-1-7(14-15-9)8-5-18-4-3-16(8)6-17/h1-2,6,8H,3-5H2/t8-/m1/s1
InChIKeyDWBQNCHAVFEBFI-MRVPVSSYSA-N
XLogP1.03
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde 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 (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde?
The IUPAC name of (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde (CID 175509109) is (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde.
What is the SMILES notation for (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde?
The canonical SMILES for (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde is O=CN1CCOC[C@@H]1c1ccc(C(F)(F)F)nn1.
What is the InChIKey of (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde?
The InChIKey is DWBQNCHAVFEBFI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)9-2-1-7(14-15-9)8-5-18-4-3-16(8)6-17/h1-2,6,8H,3-5H2/t8-/m1/s1.
What are the key properties of (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde?
(3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde has a molecular weight of 261.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[6-(trifluoromethyl)pyridazin-3-yl]morpholine-4-carbaldehyde is sourced from PubChem (CID 175509109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).