5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile

C19H26N6O — CID 133360812

IUPAC5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCC(c3ccnn3CCO)CC2)c(C#N)c1CC
InChIInChI=1S/C19H26N6O/c1-3-15-16(13-20)19(23-22-17(15)4-2)24-9-6-14(7-10-24)18-5-8-21-25(18)11-12-26/h5,8,14,26H,3-4,6-7,9-12H2,1-2H3
InChIKeyHTZUTXGJIOZJFU-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.05
Rot. Bonds6

About 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133360812) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID133360812
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCC(c3ccnn3CCO)CC2)c(C#N)c1CC
InChIInChI=1S/C19H26N6O/c1-3-15-16(13-20)19(23-22-17(15)4-2)24-9-6-14(7-10-24)18-5-8-21-25(18)11-12-26/h5,8,14,26H,3-4,6-7,9-12H2,1-2H3
InChIKeyHTZUTXGJIOZJFU-UHFFFAOYSA-N
XLogP2.05
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360044
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131
5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 99778820
N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide
CID 133373932
3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510045
5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133378935
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 133360980
5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373187
2-[5-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrazol-1-yl]ethanol
CID 99793887
3-[2-(2-chlorophenyl)morpholin-4-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133378940
5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 133361030

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile (CID 133360812) is 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCC(c3ccnn3CCO)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is HTZUTXGJIOZJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-15-16(13-20)19(23-22-17(15)4-2)24-9-6-14(7-10-24)18-5-8-21-25(18)11-12-26/h5,8,14,26H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 354.46 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133360812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).