5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile

C14H22N4S — CID 112659545

IUPAC5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)C(C)CSC)c(C#N)c1CC
InChIInChI=1S/C14H22N4S/c1-6-11-12(8-15)14(17-16-13(11)7-2)18(4)10(3)9-19-5/h10H,6-7,9H2,1-5H3
InChIKeySJMROQFJCSXAGD-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.66
Rot. Bonds6

About 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile (PubChem CID 112659545) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile
PubChem CID112659545
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(N(C)C(C)CSC)c(C#N)c1CC
InChIInChI=1S/C14H22N4S/c1-6-11-12(8-15)14(17-16-13(11)7-2)18(4)10(3)9-19-5/h10H,6-7,9H2,1-5H3
InChIKeySJMROQFJCSXAGD-UHFFFAOYSA-N
XLogP2.66
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,3-dimethylbutan-2-yl(methyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80510443
3-[bis(2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80504557
5,6-diethyl-3-[3-hydroxybutyl(methyl)amino]pyridazine-4-carbonitrile
CID 115693664
5,6-diethyl-3-[methyl(pentyl)amino]pyridazine-4-carbonitrile
CID 80509404
5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
CID 80510829
5,6-diethyl-3-(2-fluoro-N-methylanilino)pyridazine-4-carbonitrile
CID 80504750
3-(3-chloro-2-methylpropyl)sulfanyl-5,6-diethylpyridazine-4-carbonitrile
CID 80514725
5,6-diethyl-3-(N-ethylanilino)pyridazine-4-carbonitrile
CID 80508574
2-[(4-cyano-5,6-diethylpyridazin-3-yl)-ethylamino]acetamide
CID 103102403
5,6-diethyl-3-[methyl(piperidin-3-yl)amino]pyridazine-4-carbonitrile
CID 80515022
5,6-dimethyl-3-[methyl(1-methylsulfanylbutan-2-yl)amino]pyridazine-4-carbonitrile
CID 112659522
3-(butan-2-ylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508707

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile (CID 112659545) is 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile is CCc1nnc(N(C)C(C)CSC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile?
The InChIKey is SJMROQFJCSXAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-6-11-12(8-15)14(17-16-13(11)7-2)18(4)10(3)9-19-5/h10H,6-7,9H2,1-5H3.
What are the key properties of 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile has a molecular weight of 278.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 112659545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).