6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C16H18ClN3O2 — CID 111469786

IUPAC6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CC(O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C16H18ClN3O2/c1-19-16(22)8-12-9-20(7-6-14(12)18-19)10-15(21)11-2-4-13(17)5-3-11/h2-5,8,15,21H,6-7,9-10H2,1H3
InChIKeyZDSIHXCXKSPLNL-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.53
Rot. Bonds3

About 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 111469786) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID111469786
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CC(O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C16H18ClN3O2/c1-19-16(22)8-12-9-20(7-6-14(12)18-19)10-15(21)11-2-4-13(17)5-3-11/h2-5,8,15,21H,6-7,9-10H2,1H3
InChIKeyZDSIHXCXKSPLNL-UHFFFAOYSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 111469786) is 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(CC(O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is ZDSIHXCXKSPLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-19-16(22)8-12-9-20(7-6-14(12)18-19)10-15(21)11-2-4-13(17)5-3-11/h2-5,8,15,21H,6-7,9-10H2,1H3.
What are the key properties of 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 319.79 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 111469786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).