5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile

C18H24N6O — CID 99778820

IUPAC5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c(C#N)c1CC
InChIInChI=1S/C18H24N6O/c1-3-13-14(11-19)18(23-22-15(13)4-2)24-9-5-12(6-10-24)16(25)17-20-7-8-21-17/h7-8,12,16,25H,3-6,9-10H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyKUXPEAFYYAGFRM-INIZCTEOSA-N
MW340.43 g/mol
LogP2.15
Rot. Bonds5

About 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 99778820) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID99778820
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c(C#N)c1CC
InChIInChI=1S/C18H24N6O/c1-3-13-14(11-19)18(23-22-15(13)4-2)24-9-5-12(6-10-24)16(25)17-20-7-8-21-17/h7-8,12,16,25H,3-6,9-10H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyKUXPEAFYYAGFRM-INIZCTEOSA-N
XLogP2.15
TPSA101.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
5,6-diethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360044
5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133378935
2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
CID 116681863
6-[4-[(R)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 124883228
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131
5,6-diethyl-3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 133360812
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 133360980
3-[4-(3,5-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133362603
5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 133361030
5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 115871295

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile (CID 99778820) is 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCC([C@H](O)c3ncc[nH]3)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is KUXPEAFYYAGFRM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-13-14(11-19)18(23-22-15(13)4-2)24-9-5-12(6-10-24)16(25)17-20-7-8-21-17/h7-8,12,16,25H,3-6,9-10H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 340.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 99778820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).