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

C14H18Cl2N2O — CID 22751180

IUPAC1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(Cl)cc2Cl)=N1
InChIInChI=1S/C14H18Cl2N2O/c1-2-11(19)9-18-7-3-4-14(17-18)12-6-5-10(15)8-13(12)16/h5-6,8,11,19H,2-4,7,9H2,1H3
InChIKeySVHQLVLICSTTJH-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.56
Rot. Bonds4

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

1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (PubChem CID 22751180) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.

Molecular Properties

Compound Name1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
PubChem CID22751180
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol
SMILESCCC(O)CN1CCCC(c2ccc(Cl)cc2Cl)=N1
InChIInChI=1S/C14H18Cl2N2O/c1-2-11(19)9-18-7-3-4-14(17-18)12-6-5-10(15)8-13(12)16/h5-6,8,11,19H,2-4,7,9H2,1H3
InChIKeySVHQLVLICSTTJH-UHFFFAOYSA-N
XLogP3.56
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The IUPAC name of 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol (CID 22751180) is 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol.
What is the SMILES notation for 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The canonical SMILES for 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is CCC(O)CN1CCCC(c2ccc(Cl)cc2Cl)=N1.
What is the InChIKey of 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
The InChIKey is SVHQLVLICSTTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-2-11(19)9-18-7-3-4-14(17-18)12-6-5-10(15)8-13(12)16/h5-6,8,11,19H,2-4,7,9H2,1H3.
What are the key properties of 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol?
1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol has a molecular weight of 301.22 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-dichlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]butan-2-ol is sourced from PubChem (CID 22751180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).