3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine

C14H11N3OS — CID 7162432

IUPAC3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
SMILESc1cncc(CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C14H11N3OS/c1-3-11(9-15-7-1)10-19-14-6-5-12(16-17-14)13-4-2-8-18-13/h1-9H,10H2
InChIKeyHHEVZBJPCUVRNS-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.42
Rot. Bonds4

About 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine

3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine (PubChem CID 7162432) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
PubChem CID7162432
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine
SMILESc1cncc(CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C14H11N3OS/c1-3-11(9-15-7-1)10-19-14-6-5-12(16-17-14)13-4-2-8-18-13/h1-9H,10H2
InChIKeyHHEVZBJPCUVRNS-UHFFFAOYSA-N
XLogP3.42
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
CID 7207290
diethyl-[2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylethyl]azanium
CID 7688119
3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 8699888
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 52904218
7-(furan-2-yl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 7086492
3-(phenylsulfanylmethyl)pyridine;hydrochloride
CID 71374325
N-(2-chlorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688107
6-(pyridin-3-ylmethylsulfanyl)pyridine-3-carboxylic acid
CID 61299527
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473939
N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688106
3-[[2-[4,5-bis(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(pyridin-3-ylmethylsulfanyl)-1,3-dithiol-4-yl]sulfanylmethyl]pyridine
CID 101228131
3-benzylsulfanyl-5,6-bis(furan-2-yl)-1,2,4-triazine
CID 2940938

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine?
The IUPAC name of 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine (CID 7162432) is 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine?
The canonical SMILES for 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine is c1cncc(CSc2ccc(-c3ccco3)nn2)c1.
What is the InChIKey of 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine?
The InChIKey is HHEVZBJPCUVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-3-11(9-15-7-1)10-19-14-6-5-12(16-17-14)13-4-2-8-18-13/h1-9H,10H2.
What are the key properties of 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine?
3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine has a molecular weight of 269.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-(pyridin-3-ylmethylsulfanyl)pyridazine is sourced from PubChem (CID 7162432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).