3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H17N3O2 — CID 137462795

IUPAC3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(-c2ccc(C3=NNC(=O)CC3)cc2C)cn1
InChIInChI=1S/C17H17N3O2/c1-11-9-12(15-6-7-16(21)20-19-15)3-5-14(11)13-4-8-17(22-2)18-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,21)
InChIKeyGCCYLXCYTLLRAN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.68
Rot. Bonds3

About 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137462795) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137462795
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(-c2ccc(C3=NNC(=O)CC3)cc2C)cn1
InChIInChI=1S/C17H17N3O2/c1-11-9-12(15-6-7-16(21)20-19-15)3-5-14(11)13-4-8-17(22-2)18-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,21)
InChIKeyGCCYLXCYTLLRAN-UHFFFAOYSA-N
XLogP2.68
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137462795) is 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(-c2ccc(C3=NNC(=O)CC3)cc2C)cn1.
What is the InChIKey of 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GCCYLXCYTLLRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-9-12(15-6-7-16(21)20-19-15)3-5-14(11)13-4-8-17(22-2)18-10-13/h3-5,8-10H,6-7H2,1-2H3,(H,20,21).
What are the key properties of 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 295.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methoxy-3-pyridinyl)-3-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137462795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).