1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one

C15H16N4O3 — CID 75476502

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCOc1ccccc1OCCn1ncc2cnn(C)c(=O)c21
InChIInChI=1S/C15H16N4O3/c1-18-15(20)14-11(9-16-18)10-17-19(14)7-8-22-13-6-4-3-5-12(13)21-2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWPIMXJODUJHMBV-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.22
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one

1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one (PubChem CID 75476502) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
PubChem CID75476502
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one
SMILESCOc1ccccc1OCCn1ncc2cnn(C)c(=O)c21
InChIInChI=1S/C15H16N4O3/c1-18-15(20)14-11(9-16-18)10-17-19(14)7-8-22-13-6-4-3-5-12(13)21-2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWPIMXJODUJHMBV-UHFFFAOYSA-N
XLogP1.22
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-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 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one (CID 75476502) is 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one is COc1ccccc1OCCn1ncc2cnn(C)c(=O)c21.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one?
The InChIKey is WPIMXJODUJHMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-18-15(20)14-11(9-16-18)10-17-19(14)7-8-22-13-6-4-3-5-12(13)21-2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one?
1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 300.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-6-methylpyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 75476502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).