5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile

C18H22N4O — CID 133375206

IUPAC5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(O)c2cccc(C)c2)c(C#N)c1CC
InChIInChI=1S/C18H22N4O/c1-4-14-15(10-19)18(22-21-16(14)5-2)20-11-17(23)13-8-6-7-12(3)9-13/h6-9,17,23H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyPKNAMGVIDNPWEV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds6

About 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile (PubChem CID 133375206) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
PubChem CID133375206
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(O)c2cccc(C)c2)c(C#N)c1CC
InChIInChI=1S/C18H22N4O/c1-4-14-15(10-19)18(22-21-16(14)5-2)20-11-17(23)13-8-6-7-12(3)9-13/h6-9,17,23H,4-5,11H2,1-3H3,(H,20,22)
InChIKeyPKNAMGVIDNPWEV-UHFFFAOYSA-N
XLogP2.93
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]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

5,6-diethyl-3-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]pyridazine-4-carbonitrile
CID 133359909
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
CID 80508640
5,6-diethyl-3-[2-(2-methoxyphenyl)propylamino]pyridazine-4-carbonitrile
CID 133361072
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-[(5-methylthiophen-2-yl)methylamino]pyridazine-4-carbonitrile
CID 80509551
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375786
(1R)-1-(3-methylphenyl)-2-[(6-methyl-2-pyridinyl)amino]ethanol
CID 99704551
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-[(2-hydroxy-3-methoxyphenyl)methylamino]pyridazine-4-carbonitrile
CID 133361154
3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
5-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]pentanamide
CID 106236890

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile (CID 133375206) is 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile is CCc1nnc(NCC(O)c2cccc(C)c2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile?
The InChIKey is PKNAMGVIDNPWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-14-15(10-19)18(22-21-16(14)5-2)20-11-17(23)13-8-6-7-12(3)9-13/h6-9,17,23H,4-5,11H2,1-3H3,(H,20,22).
What are the key properties of 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile has a molecular weight of 310.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 133375206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).