3-phenyl-3H-pyridazin-6-one

C10H8N2O — CID 86287397

IUPAC3-phenyl-3H-pyridazin-6-one
SMILESO=C1C=CC(c2ccccc2)N=N1
InChIInChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7,9H
InChIKeyUYUJFSDYADNSBY-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.28
Rot. Bonds1

About 3-phenyl-3H-pyridazin-6-one

3-phenyl-3H-pyridazin-6-one (PubChem CID 86287397) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-phenyl-3H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-3H-pyridazin-6-one
PubChem CID86287397
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name3-phenyl-3H-pyridazin-6-one
SMILESO=C1C=CC(c2ccccc2)N=N1
InChIInChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7,9H
InChIKeyUYUJFSDYADNSBY-UHFFFAOYSA-N
XLogP2.28
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3H-pyridazin-6-one?
The IUPAC name of 3-phenyl-3H-pyridazin-6-one (CID 86287397) is 3-phenyl-3H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-3H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-3H-pyridazin-6-one is O=C1C=CC(c2ccccc2)N=N1.
What is the InChIKey of 3-phenyl-3H-pyridazin-6-one?
The InChIKey is UYUJFSDYADNSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-10-7-6-9(11-12-10)8-4-2-1-3-5-8/h1-7,9H.
What are the key properties of 3-phenyl-3H-pyridazin-6-one?
3-phenyl-3H-pyridazin-6-one has a molecular weight of 172.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3H-pyridazin-6-one is sourced from PubChem (CID 86287397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).