3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile

C10H6N4S — CID 80514292

IUPAC3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Sc1ccccn1
InChIInChI=1S/C10H6N4S/c11-7-8-4-6-13-14-10(8)15-9-3-1-2-5-12-9/h1-6H
InChIKeyDYOXSOMRFJJXSK-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.89
Rot. Bonds2

About 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile

3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile (PubChem CID 80514292) has the molecular formula C10H6N4S and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile
PubChem CID80514292
Molecular FormulaC10H6N4S
Molecular Weight214.25 g/mol
Exact Mass214.03
IUPAC Name3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1Sc1ccccn1
InChIInChI=1S/C10H6N4S/c11-7-8-4-6-13-14-10(8)15-9-3-1-2-5-12-9/h1-6H
InChIKeyDYOXSOMRFJJXSK-UHFFFAOYSA-N
XLogP1.89
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile?
The IUPAC name of 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile (CID 80514292) is 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile?
The canonical SMILES for 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile is N#Cc1ccnnc1Sc1ccccn1.
What is the InChIKey of 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile?
The InChIKey is DYOXSOMRFJJXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4S/c11-7-8-4-6-13-14-10(8)15-9-3-1-2-5-12-9/h1-6H.
What are the key properties of 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile?
3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile has a molecular weight of 214.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile is sourced from PubChem (CID 80514292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).