1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol

C15H19F3N2O — CID 22751169

IUPAC1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C15H19F3N2O/c1-2-13(21)10-20-9-3-4-14(19-20)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,21H,2-4,9-10H2,1H3
InChIKeyCMEQJPXCKNXIMV-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.28
Rot. Bonds4

About 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol

1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (PubChem CID 22751169) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
PubChem CID22751169
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C15H19F3N2O/c1-2-13(21)10-20-9-3-4-14(19-20)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,21H,2-4,9-10H2,1H3
InChIKeyCMEQJPXCKNXIMV-UHFFFAOYSA-N
XLogP3.28
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol 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 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (CID 22751169) is 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is CCC(O)CN1CCCC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The InChIKey is CMEQJPXCKNXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-2-13(21)10-20-9-3-4-14(19-20)11-5-7-12(8-6-11)15(16,17)18/h5-8,13,21H,2-4,9-10H2,1H3.
What are the key properties of 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol has a molecular weight of 300.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is sourced from PubChem (CID 22751169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).