3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one

C14H10N2O2 — CID 168527958

IUPAC3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(-c3ccco3)cc2)n[nH]1
InChIInChI=1S/C14H10N2O2/c17-14-8-7-12(15-16-14)10-3-5-11(6-4-10)13-2-1-9-18-13/h1-9H,(H,16,17)
InChIKeyIPPYVUYVUGSOTP-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.70
Rot. Bonds2

About 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one

3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one (PubChem CID 168527958) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
PubChem CID168527958
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(-c3ccco3)cc2)n[nH]1
InChIInChI=1S/C14H10N2O2/c17-14-8-7-12(15-16-14)10-3-5-11(6-4-10)13-2-1-9-18-13/h1-9H,(H,16,17)
InChIKeyIPPYVUYVUGSOTP-UHFFFAOYSA-N
XLogP2.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-1H-pyridazin-6-one;5-methyl-3-phenyl-1H-pyridazin-6-one
CID 67695181
3-[4-(benzylamino)-3-(furan-2-yl)phenyl]-1H-pyridazin-6-one
CID 168527891
3-[4-(2-aminoethyl)phenyl]-1H-pyridazin-6-one
CID 15107871
2-[6-(furan-2-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 174524048
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
CID 51589117
6-(furan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one
CID 168528419
ethane;2-phenylfuran
CID 143157762
5-(furan-2-yl)-1H-pyrimidin-2-one
CID 53222218
1-[4-(furan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 168527054
4-(furan-2-yl)benzoyl chloride
CID 7537504
4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine
CID 168527070
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623

Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one (CID 168527958) is 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(-c3ccco3)cc2)n[nH]1.
What is the InChIKey of 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one?
The InChIKey is IPPYVUYVUGSOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-8-7-12(15-16-14)10-3-5-11(6-4-10)13-2-1-9-18-13/h1-9H,(H,16,17).
What are the key properties of 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one?
3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one has a molecular weight of 238.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-2-yl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 168527958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).