5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile

C17H22N6O — CID 95766144

IUPAC5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)c(C#N)c1C
InChIInChI=1S/C17H22N6O/c1-10(2)17-19-15(22-24-17)13-6-5-7-23(9-13)16-14(8-18)11(3)12(4)20-21-16/h10,13H,5-7,9H2,1-4H3/t13-/m1/s1
InChIKeyLQEIXBUARQNBGQ-CYBMUJFWSA-N
MW326.40 g/mol
LogP2.86
Rot. Bonds3

About 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile

5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 95766144) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID95766144
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)c(C#N)c1C
InChIInChI=1S/C17H22N6O/c1-10(2)17-19-15(22-24-17)13-6-5-7-23(9-13)16-14(8-18)11(3)12(4)20-21-16/h10,13H,5-7,9H2,1-4H3/t13-/m1/s1
InChIKeyLQEIXBUARQNBGQ-CYBMUJFWSA-N
XLogP2.86
TPSA91.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile with MolForge

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Related Compounds

3-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 124882909
3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 95766139
3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576
5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95590461
5-chloro-6-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 95763138
3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 127365253
1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 95766111
3-[2-(aminomethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 114399299
3-[2-(hydroxymethyl)morpholin-4-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 79839253
methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444578
5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile
CID 56799937
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile (CID 95766144) is 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile is Cc1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is LQEIXBUARQNBGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N6O/c1-10(2)17-19-15(22-24-17)13-6-5-7-23(9-13)16-14(8-18)11(3)12(4)20-21-16/h10,13H,5-7,9H2,1-4H3/t13-/m1/s1.
What are the key properties of 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 326.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 95766144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).