1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol

C16H22Cl2N2O — CID 22751156

IUPAC1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol
SMILESCCCCC(O)CN1N=CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-3-5-13(21)11-20-16(6-4-9-19-20)12-7-8-14(17)15(18)10-12/h7-10,13,16,21H,2-6,11H2,1H3
InChIKeySOKPAGHEUHZGOD-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.67
Rot. Bonds6

About 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol

1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol (PubChem CID 22751156) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol.

Molecular Properties

Compound Name1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol
PubChem CID22751156
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol
SMILESCCCCC(O)CN1N=CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H22Cl2N2O/c1-2-3-5-13(21)11-20-16(6-4-9-19-20)12-7-8-14(17)15(18)10-12/h7-10,13,16,21H,2-6,11H2,1H3
InChIKeySOKPAGHEUHZGOD-UHFFFAOYSA-N
XLogP4.67
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol?
The IUPAC name of 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol (CID 22751156) is 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol.
What is the SMILES notation for 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol?
The canonical SMILES for 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol is CCCCC(O)CN1N=CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol?
The InChIKey is SOKPAGHEUHZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-3-5-13(21)11-20-16(6-4-9-19-20)12-7-8-14(17)15(18)10-12/h7-10,13,16,21H,2-6,11H2,1H3.
What are the key properties of 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol?
1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol has a molecular weight of 329.27 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]hexan-2-ol is sourced from PubChem (CID 22751156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).