3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile

C16H24N4O — CID 126796537

IUPAC3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCCCC2CCCCC2O)c(C#N)c1C
InChIInChI=1S/C16H24N4O/c1-11-12(2)19-20-16(14(11)10-17)18-9-5-7-13-6-3-4-8-15(13)21/h13,15,21H,3-9H2,1-2H3,(H,18,20)
InChIKeyZKQVWEJLJVTDIE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.71
Rot. Bonds5

About 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile

3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 126796537) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID126796537
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(NCCCC2CCCCC2O)c(C#N)c1C
InChIInChI=1S/C16H24N4O/c1-11-12(2)19-20-16(14(11)10-17)18-9-5-7-13-6-3-4-8-15(13)21/h13,15,21H,3-9H2,1-2H3,(H,18,20)
InChIKeyZKQVWEJLJVTDIE-UHFFFAOYSA-N
XLogP2.71
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile
CID 78998795
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-(oxolan-3-ylmethylamino)pyridazine-4-carbonitrile
CID 47184936
5,6-dimethyl-3-[[(2R)-oxolan-2-yl]methylamino]pyridazine-4-carbonitrile
CID 31535232
2-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-N-(cyclobutylmethyl)ethanesulfonamide
CID 133295855
4-bromo-N-[3-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]propyl]benzamide
CID 133275190
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
6-[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]-4,4-dimethylhexanoic acid
CID 80508560
3-(2-bicyclo[2.2.1]heptanylmethylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 62734597
3-fluoro-4-[3-(2-hydroxycyclohexyl)propylamino]benzonitrile
CID 133384912

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile (CID 126796537) is 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(NCCCC2CCCCC2O)c(C#N)c1C.
What is the InChIKey of 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is ZKQVWEJLJVTDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-12(2)19-20-16(14(11)10-17)18-9-5-7-13-6-3-4-8-15(13)21/h13,15,21H,3-9H2,1-2H3,(H,18,20).
What are the key properties of 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxycyclohexyl)propylamino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 126796537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).