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

C18H15N3O — CID 2828583

IUPAC5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccccc2)CC1c1c[nH]c2ccccc12
InChIInChI=1S/C18H15N3O/c22-18-14(15-11-19-16-9-5-4-8-13(15)16)10-17(20-21-18)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2,(H,21,22)
InChIKeyCMYOELAEZMTMGH-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.18
Rot. Bonds2

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

5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 2828583) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID2828583
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1NN=C(c2ccccc2)CC1c1c[nH]c2ccccc12
InChIInChI=1S/C18H15N3O/c22-18-14(15-11-19-16-9-5-4-8-13(15)16)10-17(20-21-18)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2,(H,21,22)
InChIKeyCMYOELAEZMTMGH-UHFFFAOYSA-N
XLogP3.18
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one (CID 2828583) is 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is O=C1NN=C(c2ccccc2)CC1c1c[nH]c2ccccc12.
What is the InChIKey of 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CMYOELAEZMTMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18-14(15-11-19-16-9-5-4-8-13(15)16)10-17(20-21-18)12-6-2-1-3-7-12/h1-9,11,14,19H,10H2,(H,21,22).
What are the key properties of 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one?
5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 289.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 2828583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).