3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one

C20H19N3O — CID 10471087

IUPAC3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(C2=NNC(=O)C(c3c[nH]c4ccccc34)C2)cc1C
InChIInChI=1S/C20H19N3O/c1-12-7-8-14(9-13(12)2)19-10-16(20(24)23-22-19)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24)
InChIKeyOFJQMLJBIJRMQZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.79
Rot. Bonds2

About 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one

3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 10471087) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID10471087
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(C2=NNC(=O)C(c3c[nH]c4ccccc34)C2)cc1C
InChIInChI=1S/C20H19N3O/c1-12-7-8-14(9-13(12)2)19-10-16(20(24)23-22-19)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24)
InChIKeyOFJQMLJBIJRMQZ-UHFFFAOYSA-N
XLogP3.79
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 10471087) is 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one is Cc1ccc(C2=NNC(=O)C(c3c[nH]c4ccccc34)C2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is OFJQMLJBIJRMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12-7-8-14(9-13(12)2)19-10-16(20(24)23-22-19)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 317.39 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 10471087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).