2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one

C18H14N2O2 — CID 166336833

IUPAC2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ccccc1)-c1ccccc1OC2
InChIInChI=1S/C18H14N2O2/c21-17-10-14-12-22-16-9-5-4-8-15(16)18(14)19-20(17)11-13-6-2-1-3-7-13/h1-10H,11-12H2
InChIKeyOFJFZNVLZCFDLR-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.85
Rot. Bonds2

About 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one

2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one (PubChem CID 166336833) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one
PubChem CID166336833
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ccccc1)-c1ccccc1OC2
InChIInChI=1S/C18H14N2O2/c21-17-10-14-12-22-16-9-5-4-8-15(16)18(14)19-20(17)11-13-6-2-1-3-7-13/h1-10H,11-12H2
InChIKeyOFJFZNVLZCFDLR-UHFFFAOYSA-N
XLogP2.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-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-benzyl-5H-chromeno[4,3-c]pyridazin-3-one?
The IUPAC name of 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one (CID 166336833) is 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one is O=c1cc2c(nn1Cc1ccccc1)-c1ccccc1OC2.
What is the InChIKey of 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one?
The InChIKey is OFJFZNVLZCFDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-10-14-12-22-16-9-5-4-8-15(16)18(14)19-20(17)11-13-6-2-1-3-7-13/h1-10H,11-12H2.
What are the key properties of 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one?
2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one has a molecular weight of 290.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one is sourced from PubChem (CID 166336833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).