4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one

C17H21N3O — CID 3065916

IUPAC4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one
SMILESCc1cc(-c2ccccc2)nn(C2CCN(C)CC2)c1=O
InChIInChI=1S/C17H21N3O/c1-13-12-16(14-6-4-3-5-7-14)18-20(17(13)21)15-8-10-19(2)11-9-15/h3-7,12,15H,8-11H2,1-2H3
InChIKeyKCKKRVFJCMEJRR-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.49
Rot. Bonds2

About 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one

4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one (PubChem CID 3065916) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one
PubChem CID3065916
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one
SMILESCc1cc(-c2ccccc2)nn(C2CCN(C)CC2)c1=O
InChIInChI=1S/C17H21N3O/c1-13-12-16(14-6-4-3-5-7-14)18-20(17(13)21)15-8-10-19(2)11-9-15/h3-7,12,15H,8-11H2,1-2H3
InChIKeyKCKKRVFJCMEJRR-UHFFFAOYSA-N
XLogP2.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one?
The IUPAC name of 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one (CID 3065916) is 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one?
The canonical SMILES for 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one is Cc1cc(-c2ccccc2)nn(C2CCN(C)CC2)c1=O.
What is the InChIKey of 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one?
The InChIKey is KCKKRVFJCMEJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-12-16(14-6-4-3-5-7-14)18-20(17(13)21)15-8-10-19(2)11-9-15/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one?
4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one has a molecular weight of 283.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-methylpiperidin-4-yl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 3065916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).