1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one

C14H15N3O — CID 66966675

IUPAC1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one
SMILESCN1CCCc2c1c(-c1ccccc1)n[nH]c2=O
InChIInChI=1S/C14H15N3O/c1-17-9-5-8-11-13(17)12(15-16-14(11)18)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,16,18)
InChIKeyIOQXEVXNMNQIBC-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.82
Rot. Bonds1

About 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one

1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one (PubChem CID 66966675) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one
PubChem CID66966675
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one
SMILESCN1CCCc2c1c(-c1ccccc1)n[nH]c2=O
InChIInChI=1S/C14H15N3O/c1-17-9-5-8-11-13(17)12(15-16-14(11)18)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,16,18)
InChIKeyIOQXEVXNMNQIBC-UHFFFAOYSA-N
XLogP1.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one (CID 66966675) is 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one is CN1CCCc2c1c(-c1ccccc1)n[nH]c2=O.
What is the InChIKey of 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one?
The InChIKey is IOQXEVXNMNQIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17-9-5-8-11-13(17)12(15-16-14(11)18)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H,16,18).
What are the key properties of 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one?
1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one has a molecular weight of 241.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-phenyl-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 66966675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).