2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile

C10H7N3OS — CID 7688102

IUPAC2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile
SMILESN#CCSc1ccc(-c2ccco2)nn1
InChIInChI=1S/C10H7N3OS/c11-5-7-15-10-4-3-8(12-13-10)9-2-1-6-14-9/h1-4,6H,7H2
InChIKeyKGIAMPCFEQTZOM-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.35
Rot. Bonds3

About 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile

2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile (PubChem CID 7688102) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile.

Molecular Properties

Compound Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile
PubChem CID7688102
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile
SMILESN#CCSc1ccc(-c2ccco2)nn1
InChIInChI=1S/C10H7N3OS/c11-5-7-15-10-4-3-8(12-13-10)9-2-1-6-14-9/h1-4,6H,7H2
InChIKeyKGIAMPCFEQTZOM-UHFFFAOYSA-N
XLogP2.35
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile?
The IUPAC name of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile (CID 7688102) is 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile.
What is the SMILES notation for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile?
The canonical SMILES for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile is N#CCSc1ccc(-c2ccco2)nn1.
What is the InChIKey of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile?
The InChIKey is KGIAMPCFEQTZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c11-5-7-15-10-4-3-8(12-13-10)9-2-1-6-14-9/h1-4,6H,7H2.
What are the key properties of 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile?
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetonitrile is sourced from PubChem (CID 7688102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).