6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile

C12H7N5O2S — CID 133416299

IUPAC6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
SMILESCc1occc1-c1nnc(Sc2ccc(C#N)nn2)o1
InChIInChI=1S/C12H7N5O2S/c1-7-9(4-5-18-7)11-16-17-12(19-11)20-10-3-2-8(6-13)14-15-10/h2-5H,1H3
InChIKeyCKCIYMWSGQYSIQ-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.45
Rot. Bonds3

About 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile

6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile (PubChem CID 133416299) has the molecular formula C12H7N5O2S and a molecular weight of 285.29 g/mol. Its IUPAC name is 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
PubChem CID133416299
Molecular FormulaC12H7N5O2S
Molecular Weight285.29 g/mol
Exact Mass285.03
IUPAC Name6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile
SMILESCc1occc1-c1nnc(Sc2ccc(C#N)nn2)o1
InChIInChI=1S/C12H7N5O2S/c1-7-9(4-5-18-7)11-16-17-12(19-11)20-10-3-2-8(6-13)14-15-10/h2-5H,1H3
InChIKeyCKCIYMWSGQYSIQ-UHFFFAOYSA-N
XLogP2.45
TPSA101.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile (CID 133416299) is 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile is Cc1occc1-c1nnc(Sc2ccc(C#N)nn2)o1.
What is the InChIKey of 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
The InChIKey is CKCIYMWSGQYSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O2S/c1-7-9(4-5-18-7)11-16-17-12(19-11)20-10-3-2-8(6-13)14-15-10/h2-5H,1H3.
What are the key properties of 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile?
6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile has a molecular weight of 285.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133416299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).