3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile

C10H8N4OS — CID 106922431

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
SMILESCc1nc(Sc2nnccc2C#N)oc1C
InChIInChI=1S/C10H8N4OS/c1-6-7(2)15-10(13-6)16-9-8(5-11)3-4-12-14-9/h3-4H,1-2H3
InChIKeyGYYAIUMYRMXOQL-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.10
Rot. Bonds2

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile (PubChem CID 106922431) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
PubChem CID106922431
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile
SMILESCc1nc(Sc2nnccc2C#N)oc1C
InChIInChI=1S/C10H8N4OS/c1-6-7(2)15-10(13-6)16-9-8(5-11)3-4-12-14-9/h3-4H,1-2H3
InChIKeyGYYAIUMYRMXOQL-UHFFFAOYSA-N
XLogP2.10
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylfuran-3-yl)sulfanylpyridazine-4-carbonitrile
CID 107780096
3-(4,6-diaminopyrimidin-2-yl)sulfanylpyridazine-4-carbonitrile
CID 80514139
3-(2,5-dimethylphenyl)sulfanylpyridazine-4-carbonitrile
CID 80514160
3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile
CID 168908771
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinoline-4-carbonitrile
CID 106922446
3-pyridin-2-ylsulfanylpyridazine-4-carbonitrile
CID 80514292
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile
CID 84586916
3-(2-methoxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80514163
3-(4-nitrophenyl)sulfanylpyridazine-4-carbonitrile
CID 80514161
3-(3-methoxypropylsulfanyl)pyridazine-4-carbonitrile
CID 80515644
2-(6-chloro-4,5-dimethylpyridazin-3-yl)sulfanyl-4,5-dimethyl-1,3-oxazole
CID 106923554
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-[(1R)-1-hydroxyethyl]benzonitrile
CID 106927024

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile (CID 106922431) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile is Cc1nc(Sc2nnccc2C#N)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
The InChIKey is GYYAIUMYRMXOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-6-7(2)15-10(13-6)16-9-8(5-11)3-4-12-14-9/h3-4H,1-2H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile has a molecular weight of 232.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridazine-4-carbonitrile is sourced from PubChem (CID 106922431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).