3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile

C13H7N3O3 — CID 10106289

IUPAC3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile
SMILESN#Cc1c(-c2ccco2)c(-c2ccco2)n[nH]c1=O
InChIInChI=1S/C13H7N3O3/c14-7-8-11(9-3-1-5-18-9)12(15-16-13(8)17)10-4-2-6-19-10/h1-6H,(H,16,17)
InChIKeyCURKBGKGYKGVPU-UHFFFAOYSA-N
MW253.22 g/mol
LogP2.16
Rot. Bonds2

About 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile

3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile (PubChem CID 10106289) has the molecular formula C13H7N3O3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile.

Molecular Properties

Compound Name3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile
PubChem CID10106289
Molecular FormulaC13H7N3O3
Molecular Weight253.22 g/mol
Exact Mass253.05
IUPAC Name3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile
SMILESN#Cc1c(-c2ccco2)c(-c2ccco2)n[nH]c1=O
InChIInChI=1S/C13H7N3O3/c14-7-8-11(9-3-1-5-18-9)12(15-16-13(8)17)10-4-2-6-19-10/h1-6H,(H,16,17)
InChIKeyCURKBGKGYKGVPU-UHFFFAOYSA-N
XLogP2.16
TPSA95.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(furan-2-yl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
CID 82080953
4-amino-6,7-bis(furan-2-yl)-1,3-dioxo-2-benzofuran-5-carbonitrile
CID 3426766
3-amino-1-(furan-2-yl)-9-oxoindeno[2,1-c]pyridine-4-carbonitrile
CID 10108095
4-(furan-2-yl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
CID 2816448
3,4-bis(4-aminophenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 11587541
2-(azepan-1-yl)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 136694321
4-(furan-2-yl)-5-methanimidoyl-2-oxo-6-sulfanyl-1H-pyridine-3-carbonitrile
CID 137161096
2-amino-4-[3-(furan-2-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393411
1,2-diamino-4-(furan-2-yl)-6-oxopyridine-3,5-dicarbonitrile
CID 3454191
5-amino-3-(furan-2-yl)-1H-pyridazin-6-one
CID 51589117
4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 155815201
4-(furan-2-yl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
CID 45028806

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile?
The IUPAC name of 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile (CID 10106289) is 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile.
What is the SMILES notation for 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile?
The canonical SMILES for 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile is N#Cc1c(-c2ccco2)c(-c2ccco2)n[nH]c1=O.
What is the InChIKey of 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile?
The InChIKey is CURKBGKGYKGVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O3/c14-7-8-11(9-3-1-5-18-9)12(15-16-13(8)17)10-4-2-6-19-10/h1-6H,(H,16,17).
What are the key properties of 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile?
3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile has a molecular weight of 253.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(furan-2-yl)-6-oxo-1H-pyridazine-5-carbonitrile is sourced from PubChem (CID 10106289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).