3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one

C19H16N4O3 — CID 67695181

IUPAC3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one
SMILESCc1cc(-c2ccccc2)n[nH]c1=O.O=c1ccc(-c2ccco2)n[nH]1
InChIInChI=1S/C11H10N2O.C8H6N2O2/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9;11-8-4-3-6(9-10-8)7-2-1-5-12-7/h2-7H,1H3,(H,13,14);1-5H,(H,10,11)
InChIKeyJJFQJGXFQMKEPE-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.78
Rot. Bonds2

About 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one

3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one (PubChem CID 67695181) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one
PubChem CID67695181
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one
SMILESCc1cc(-c2ccccc2)n[nH]c1=O.O=c1ccc(-c2ccco2)n[nH]1
InChIInChI=1S/C11H10N2O.C8H6N2O2/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9;11-8-4-3-6(9-10-8)7-2-1-5-12-7/h2-7H,1H3,(H,13,14);1-5H,(H,10,11)
InChIKeyJJFQJGXFQMKEPE-UHFFFAOYSA-N
XLogP2.78
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one (CID 67695181) is 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one is Cc1cc(-c2ccccc2)n[nH]c1=O.O=c1ccc(-c2ccco2)n[nH]1.
What is the InChIKey of 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one?
The InChIKey is JJFQJGXFQMKEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.C8H6N2O2/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9;11-8-4-3-6(9-10-8)7-2-1-5-12-7/h2-7H,1H3,(H,13,14);1-5H,(H,10,11).
What are the key properties of 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one?
3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one has a molecular weight of 348.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 67695181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).