5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one

C15H12N2O2 — CID 12718217

IUPAC5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1Cc1ccco1
InChIInChI=1S/C15H12N2O2/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18)
InChIKeyLKMBOGZIBDRYBC-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.62
Rot. Bonds3

About 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one

5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one (PubChem CID 12718217) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one
PubChem CID12718217
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccccc2)cc1Cc1ccco1
InChIInChI=1S/C15H12N2O2/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18)
InChIKeyLKMBOGZIBDRYBC-UHFFFAOYSA-N
XLogP2.62
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one (CID 12718217) is 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccccc2)cc1Cc1ccco1.
What is the InChIKey of 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
The InChIKey is LKMBOGZIBDRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15-12(9-13-7-4-8-19-13)10-14(16-17-15)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,18).
What are the key properties of 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one?
5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one has a molecular weight of 252.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 12718217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).