3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile

C14H21N5 — CID 63091576

IUPAC3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCCC(N(C)C)C2)c(C#N)c1C
InChIInChI=1S/C14H21N5/c1-10-11(2)16-17-14(13(10)8-15)19-7-5-6-12(9-19)18(3)4/h12H,5-7,9H2,1-4H3
InChIKeyJMARMOSGFYHJMM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.50
Rot. Bonds2

About 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile

3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 63091576) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID63091576
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N2CCCC(N(C)C)C2)c(C#N)c1C
InChIInChI=1S/C14H21N5/c1-10-11(2)16-17-14(13(10)8-15)19-7-5-6-12(9-19)18(3)4/h12H,5-7,9H2,1-4H3
InChIKeyJMARMOSGFYHJMM-UHFFFAOYSA-N
XLogP1.50
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
CID 95623005
5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95590461
methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444578
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404
3-(4-formylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 80516292
5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95766144
4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133287265
3-[4-(2-aminoethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515197
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
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535401

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile (CID 63091576) is 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N2CCCC(N(C)C)C2)c(C#N)c1C.
What is the InChIKey of 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is JMARMOSGFYHJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10-11(2)16-17-14(13(10)8-15)19-7-5-6-12(9-19)18(3)4/h12H,5-7,9H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile?
3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 63091576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).