5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile

C14H22N4OS — CID 103757052

IUPAC5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(C)(O)CSC)c(C#N)c1CC
InChIInChI=1S/C14H22N4OS/c1-5-10-11(7-15)13(18-17-12(10)6-2)16-8-14(3,19)9-20-4/h19H,5-6,8-9H2,1-4H3,(H,16,18)
InChIKeyCSZFOAJGCGYKKS-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.00
Rot. Bonds7

About 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile (PubChem CID 103757052) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile
PubChem CID103757052
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(C)(O)CSC)c(C#N)c1CC
InChIInChI=1S/C14H22N4OS/c1-5-10-11(7-15)13(18-17-12(10)6-2)16-8-14(3,19)9-20-4/h19H,5-6,8-9H2,1-4H3,(H,16,18)
InChIKeyCSZFOAJGCGYKKS-UHFFFAOYSA-N
XLogP2.00
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile (CID 103757052) is 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile is CCc1nnc(NCC(C)(O)CSC)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile?
The InChIKey is CSZFOAJGCGYKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-5-10-11(7-15)13(18-17-12(10)6-2)16-8-14(3,19)9-20-4/h19H,5-6,8-9H2,1-4H3,(H,16,18).
What are the key properties of 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile has a molecular weight of 294.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 103757052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).