5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one

C17H18N4O2 — CID 122155184

IUPAC5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2cnn1CCC1CCCO1
InChIInChI=1S/C17H18N4O2/c22-17-15-11-19-21(13-5-2-1-3-6-13)16(15)12-18-20(17)9-8-14-7-4-10-23-14/h1-3,5-6,11-12,14H,4,7-10H2
InChIKeyLMBHGTKMEARMBE-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.15
Rot. Bonds4

About 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one

5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one (PubChem CID 122155184) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one
PubChem CID122155184
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2cnn1CCC1CCCO1
InChIInChI=1S/C17H18N4O2/c22-17-15-11-19-21(13-5-2-1-3-6-13)16(15)12-18-20(17)9-8-14-7-4-10-23-14/h1-3,5-6,11-12,14H,4,7-10H2
InChIKeyLMBHGTKMEARMBE-UHFFFAOYSA-N
XLogP2.15
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-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 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one (CID 122155184) is 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one is O=c1c2cnn(-c3ccccc3)c2cnn1CCC1CCCO1.
What is the InChIKey of 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one?
The InChIKey is LMBHGTKMEARMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17-15-11-19-21(13-5-2-1-3-6-13)16(15)12-18-20(17)9-8-14-7-4-10-23-14/h1-3,5-6,11-12,14H,4,7-10H2.
What are the key properties of 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one?
5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one has a molecular weight of 310.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-2-yl)ethyl]-1-phenylpyrazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 122155184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).