2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one

C15H15ClN4O2 — CID 46887423

IUPAC2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(CO)c2c(C)n(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C15H15ClN4O2/c1-3-19-15(22)14-13(11(8-21)17-19)9(2)20(18-14)12-7-5-4-6-10(12)16/h4-7,21H,3,8H2,1-2H3
InChIKeyLTOCPWLAFSBBOZ-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.06
Rot. Bonds3

About 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one

2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 46887423) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID46887423
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one
SMILESCCn1nc(CO)c2c(C)n(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C15H15ClN4O2/c1-3-19-15(22)14-13(11(8-21)17-19)9(2)20(18-14)12-7-5-4-6-10(12)16/h4-7,21H,3,8H2,1-2H3
InChIKeyLTOCPWLAFSBBOZ-UHFFFAOYSA-N
XLogP2.06
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one 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 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one (CID 46887423) is 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one is CCn1nc(CO)c2c(C)n(-c3ccccc3Cl)nc2c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is LTOCPWLAFSBBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-3-19-15(22)14-13(11(8-21)17-19)9(2)20(18-14)12-7-5-4-6-10(12)16/h4-7,21H,3,8H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one?
2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 318.76 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-ethyl-4-(hydroxymethyl)-3-methylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 46887423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).