5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile

C19H23N5O — CID 133373187

IUPAC5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(c3cccc(O)c3)CC2)c(C#N)c1CC
InChIInChI=1S/C19H23N5O/c1-3-16-17(13-20)19(22-21-18(16)4-2)24-10-8-23(9-11-24)14-6-5-7-15(25)12-14/h5-7,12,25H,3-4,8-11H2,1-2H3
InChIKeyAKJXZVRAPPPZKH-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.51
Rot. Bonds4

About 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133373187) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID133373187
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(c3cccc(O)c3)CC2)c(C#N)c1CC
InChIInChI=1S/C19H23N5O/c1-3-16-17(13-20)19(22-21-18(16)4-2)24-10-8-23(9-11-24)14-6-5-7-15(25)12-14/h5-7,12,25H,3-4,8-11H2,1-2H3
InChIKeyAKJXZVRAPPPZKH-UHFFFAOYSA-N
XLogP2.51
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133378935
5,6-diethyl-3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile
CID 133373555
3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360239
3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360096
5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133359835
5,6-diethyl-3-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133379097
3-[4-(3,5-dimethoxyphenyl)-4-hydroxypiperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133362603
3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133374204
5,6-diethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 115871295
3-(3,5-dioxopiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510131
5,6-diethyl-3-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373943

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile (CID 133373187) is 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCN(c3cccc(O)c3)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is AKJXZVRAPPPZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-16-17(13-20)19(22-21-18(16)4-2)24-10-8-23(9-11-24)14-6-5-7-15(25)12-14/h5-7,12,25H,3-4,8-11H2,1-2H3.
What are the key properties of 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133373187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).