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

C14H19ClN2O — CID 22751157

IUPAC1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C14H19ClN2O/c1-2-13(18)10-17-9-3-4-14(16-17)11-5-7-12(15)8-6-11/h5-8,13,18H,2-4,9-10H2,1H3
InChIKeyYOUBIUFTUZJFML-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.91
Rot. Bonds4

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

1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (PubChem CID 22751157) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
PubChem CID22751157
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C14H19ClN2O/c1-2-13(18)10-17-9-3-4-14(16-17)11-5-7-12(15)8-6-11/h5-8,13,18H,2-4,9-10H2,1H3
InChIKeyYOUBIUFTUZJFML-UHFFFAOYSA-N
XLogP2.91
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[6-(4-chlorophenyl)-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-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (CID 22751157) is 1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is CCC(O)CN1CCCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The InChIKey is YOUBIUFTUZJFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-13(18)10-17-9-3-4-14(16-17)11-5-7-12(15)8-6-11/h5-8,13,18H,2-4,9-10H2,1H3.
What are the key properties of 1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol has a molecular weight of 266.77 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is sourced from PubChem (CID 22751157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).