3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

C15H23N5O — CID 167762282

IUPAC3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC2CCN(CCO)CC2)c(C#N)c1C
InChIInChI=1S/C15H23N5O/c1-11-12(2)18-19-15(14(11)9-16)17-10-13-3-5-20(6-4-13)7-8-21/h13,21H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyXBMLYDBGHNWWAW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.08
Rot. Bonds5

About 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 167762282) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID167762282
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCC2CCN(CCO)CC2)c(C#N)c1C
InChIInChI=1S/C15H23N5O/c1-11-12(2)18-19-15(14(11)9-16)17-10-13-3-5-20(6-4-13)7-8-21/h13,21H,3-8,10H2,1-2H3,(H,17,19)
InChIKeyXBMLYDBGHNWWAW-UHFFFAOYSA-N
XLogP1.08
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile
CID 47184936
5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
CID 47280760
5,6-dimethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
CID 31535231
5,6-dimethyl-3-[[(2R)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
CID 31535232
3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62734597
3-[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 129001933
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide
CID 133295855
5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile
CID 129334996
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
ethyl 2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]acetate
CID 61097642

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 167762282) is 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCC2CCN(CCO)CC2)c(C#N)c1C.
What is the InChIKey of 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is XBMLYDBGHNWWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11-12(2)18-19-15(14(11)9-16)17-10-13-3-5-20(6-4-13)7-8-21/h13,21H,3-8,10H2,1-2H3,(H,17,19).
What are the key properties of 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 167762282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).