2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

C14H15N3O — CID 63253672

IUPAC2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ccccc1)CCNC2
InChIInChI=1S/C14H15N3O/c18-14-8-12-9-15-7-6-13(12)16-17(14)10-11-4-2-1-3-5-11/h1-5,8,15H,6-7,9-10H2
InChIKeyMAKRGVHEADRAJU-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.94
Rot. Bonds2

About 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one

2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (PubChem CID 63253672) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
PubChem CID63253672
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1Cc1ccccc1)CCNC2
InChIInChI=1S/C14H15N3O/c18-14-8-12-9-15-7-6-13(12)16-17(14)10-11-4-2-1-3-5-11/h1-5,8,15H,6-7,9-10H2
InChIKeyMAKRGVHEADRAJU-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one (CID 63253672) is 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is O=c1cc2c(nn1Cc1ccccc1)CCNC2.
What is the InChIKey of 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
The InChIKey is MAKRGVHEADRAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14-8-12-9-15-7-6-13(12)16-17(14)10-11-4-2-1-3-5-11/h1-5,8,15H,6-7,9-10H2.
What are the key properties of 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one?
2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one has a molecular weight of 241.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 63253672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).