3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile

C10H7N3OS — CID 107780096

IUPAC3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile
SMILESCc1occc1Sc1nnccc1C#N
InChIInChI=1S/C10H7N3OS/c1-7-9(3-5-14-7)15-10-8(6-11)2-4-12-13-10/h2-5H,1H3
InChIKeyPFKJUXSPMXFSCA-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.40
Rot. Bonds2

About 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile

3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile (PubChem CID 107780096) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile
PubChem CID107780096
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile
SMILESCc1occc1Sc1nnccc1C#N
InChIInChI=1S/C10H7N3OS/c1-7-9(3-5-14-7)15-10-8(6-11)2-4-12-13-10/h2-5H,1H3
InChIKeyPFKJUXSPMXFSCA-UHFFFAOYSA-N
XLogP2.40
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile?
The IUPAC name of 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile (CID 107780096) is 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile is Cc1occc1Sc1nnccc1C#N.
What is the InChIKey of 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile?
The InChIKey is PFKJUXSPMXFSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-7-9(3-5-14-7)15-10-8(6-11)2-4-12-13-10/h2-5H,1H3.
What are the key properties of 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile?
3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile is sourced from PubChem (CID 107780096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).