5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile

C16H24N4O — CID 106130804

IUPAC5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2CCC(O)CC2)c(C#N)c1CC
InChIInChI=1S/C16H24N4O/c1-3-13-14(9-17)16(20-19-15(13)4-2)18-10-11-5-7-12(21)8-6-11/h11-12,21H,3-8,10H2,1-2H3,(H,18,20)
InChIKeyQVGONDVKRWBWHJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.44
Rot. Bonds5

About 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile (PubChem CID 106130804) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile
PubChem CID106130804
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC2CCC(O)CC2)c(C#N)c1CC
InChIInChI=1S/C16H24N4O/c1-3-13-14(9-17)16(20-19-15(13)4-2)18-10-11-5-7-12(21)8-6-11/h11-12,21H,3-8,10H2,1-2H3,(H,18,20)
InChIKeyQVGONDVKRWBWHJ-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-(piperidin-3-ylmethylamino)pyridazine-4-carbonitrile
CID 80515149
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-[(3-hydroxycyclopentyl)methylamino]pyridazine-4-carboxylic acid
CID 106137556
5,6-diethyl-3-(2-piperidin-3-ylethylamino)pyridazine-4-carbonitrile
CID 80515689
5,6-diethyl-3-(2-ethylsulfinylethylamino)pyridazine-4-carbonitrile
CID 115693824
3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile
CID 114749570
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
CID 115427688

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile (CID 106130804) is 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile is CCc1nnc(NCC2CCC(O)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile?
The InChIKey is QVGONDVKRWBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-13-14(9-17)16(20-19-15(13)4-2)18-10-11-5-7-12(21)8-6-11/h11-12,21H,3-8,10H2,1-2H3,(H,18,20).
What are the key properties of 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile has a molecular weight of 288.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(4-hydroxycyclohexyl)methylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 106130804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).