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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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).