3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile

C14H16N4OS — CID 84586916

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Sc2nc(C)c(C)o2)c(C#N)c1CC
InChIInChI=1S/C14H16N4OS/c1-5-10-11(7-15)13(18-17-12(10)6-2)20-14-16-8(3)9(4)19-14/h5-6H2,1-4H3
InChIKeyCLBJXIXMAPCHTJ-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.23
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 84586916) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID84586916
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(Sc2nc(C)c(C)o2)c(C#N)c1CC
InChIInChI=1S/C14H16N4OS/c1-5-10-11(7-15)13(18-17-12(10)6-2)20-14-16-8(3)9(4)19-14/h5-6H2,1-4H3
InChIKeyCLBJXIXMAPCHTJ-UHFFFAOYSA-N
XLogP3.23
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile (CID 84586916) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(Sc2nc(C)c(C)o2)c(C#N)c1CC.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is CLBJXIXMAPCHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-5-10-11(7-15)13(18-17-12(10)6-2)20-14-16-8(3)9(4)19-14/h5-6H2,1-4H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 288.38 g/mol, XLogP of 3.23, 4 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]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 84586916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).