3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile

C12H13N5OS — CID 84599453

IUPAC3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1nc(CSc2nnc(C)c(C)c2C#N)no1
InChIInChI=1S/C12H13N5OS/c1-4-11-14-10(17-18-11)6-19-12-9(5-13)7(2)8(3)15-16-12/h4,6H2,1-3H3
InChIKeyGDHUREYTZXUMGT-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.20
Rot. Bonds4

About 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile

3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 84599453) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID84599453
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCc1nc(CSc2nnc(C)c(C)c2C#N)no1
InChIInChI=1S/C12H13N5OS/c1-4-11-14-10(17-18-11)6-19-12-9(5-13)7(2)8(3)15-16-12/h4,6H2,1-3H3
InChIKeyGDHUREYTZXUMGT-UHFFFAOYSA-N
XLogP2.20
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
CID 115577669
3-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
CID 75501154
(5-ethyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 130569000
5,6-dimethyl-3-(3-methylbutan-2-ylsulfanyl)pyridazine-4-carbonitrile
CID 107749320
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5,6-dimethylpyridazine-4-carbonitrile
CID 62305308
2-ethylsulfanyl-4,5,6-trimethylpyridine-3-carbonitrile
CID 739743
5-ethyl-3-(iodomethyl)-1,2,4-oxadiazole
CID 64787979
3-(chloromethyl)-5-ethyl-1,2,4-oxadiazole
CID 19928671
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-6-methylaniline
CID 79147101
5,6-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpyridazine-4-carbonitrile
CID 60725779
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-amine
CID 66220275
[4-ethyl-5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63313954

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile (CID 84599453) is 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile is CCc1nc(CSc2nnc(C)c(C)c2C#N)no1.
What is the InChIKey of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is GDHUREYTZXUMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-4-11-14-10(17-18-11)6-19-12-9(5-13)7(2)8(3)15-16-12/h4,6H2,1-3H3.
What are the key properties of 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 275.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 84599453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).