3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile

C15H24N4S — CID 80515973

IUPAC3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(SCCN(CC)CC)c(C#N)c1CC
InChIInChI=1S/C15H24N4S/c1-5-12-13(11-16)15(18-17-14(12)6-2)20-10-9-19(7-3)8-4/h5-10H2,1-4H3
InChIKeyDDSKXNPTOJJUMC-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.91
Rot. Bonds8

About 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile

3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 80515973) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID80515973
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(SCCN(CC)CC)c(C#N)c1CC
InChIInChI=1S/C15H24N4S/c1-5-12-13(11-16)15(18-17-14(12)6-2)20-10-9-19(7-3)8-4/h5-10H2,1-4H3
InChIKeyDDSKXNPTOJJUMC-UHFFFAOYSA-N
XLogP2.91
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethoxyethylsulfanyl)-5,6-diethylpyridazine-4-carbonitrile
CID 84586929
3-(3-chloro-2-methylpropyl)sulfanyl-5,6-diethylpyridazine-4-carbonitrile
CID 80514725
3-(2,5-difluorophenyl)sulfanyl-5,6-diethylpyridazine-4-carbonitrile
CID 80512698
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-(4-hydroxyphenyl)sulfanylpyridazine-4-carbonitrile
CID 80501751
5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile
CID 80509404
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,6-diethylpyridazine-4-carbonitrile
CID 84586916
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707
methyl 2-(4-cyano-5,6-diethylpyridazin-3-yl)sulfanylpropanoate
CID 133373419
5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile
CID 112659545
5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
CID 80514429
5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
CID 80510829

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile (CID 80515973) is 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(SCCN(CC)CC)c(C#N)c1CC.
What is the InChIKey of 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is DDSKXNPTOJJUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-5-12-13(11-16)15(18-17-14(12)6-2)20-10-9-19(7-3)8-4/h5-10H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile?
3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 292.45 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethylsulfanyl]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 80515973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).