5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile

C17H22N6 — CID 133361030

IUPAC5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC(n3cccn3)C2)c(C#N)c1CC
InChIInChI=1S/C17H22N6/c1-3-14-15(11-18)17(21-20-16(14)4-2)22-9-5-7-13(12-22)23-10-6-8-19-23/h6,8,10,13H,3-5,7,9,12H2,1-2H3
InChIKeyLCQQXYUSCDJFOG-UHFFFAOYSA-N
MW310.41 g/mol
LogP2.51
Rot. Bonds4

About 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile

5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile (PubChem CID 133361030) has the molecular formula C17H22N6 and a molecular weight of 310.41 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile
PubChem CID133361030
Molecular FormulaC17H22N6
Molecular Weight310.41 g/mol
Exact Mass310.19
IUPAC Name5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC(n3cccn3)C2)c(C#N)c1CC
InChIInChI=1S/C17H22N6/c1-3-14-15(11-18)17(21-20-16(14)4-2)22-9-5-7-13(12-22)23-10-6-8-19-23/h6,8,10,13H,3-5,7,9,12H2,1-2H3
InChIKeyLCQQXYUSCDJFOG-UHFFFAOYSA-N
XLogP2.51
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373838
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 133363785
5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80510249
5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 115871295
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131
5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373187
5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 99778820
5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360812
3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133378940
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile (CID 133361030) is 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile is CCc1nnc(N2CCCC(n3cccn3)C2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile?
The InChIKey is LCQQXYUSCDJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-3-14-15(11-18)17(21-20-16(14)4-2)22-9-5-7-13(12-22)23-10-6-8-19-23/h6,8,10,13H,3-5,7,9,12H2,1-2H3.
What are the key properties of 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile?
5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile has a molecular weight of 310.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile is sourced from PubChem (CID 133361030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).