5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile

C16H25N5O — CID 133378935

IUPAC5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(C(C)CO)CC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5O/c1-4-13-14(10-17)16(19-18-15(13)5-2)21-8-6-20(7-9-21)12(3)11-22/h12,22H,4-9,11H2,1-3H3
InChIKeyQBHGYSKWUYPTBH-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.98
Rot. Bonds5

About 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133378935) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID133378935
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(C(C)CO)CC2)c(C#N)c1CC
InChIInChI=1S/C16H25N5O/c1-4-13-14(10-17)16(19-18-15(13)5-2)21-8-6-20(7-9-21)12(3)11-22/h12,22H,4-9,11H2,1-3H3
InChIKeyQBHGYSKWUYPTBH-UHFFFAOYSA-N
XLogP0.98
TPSA76.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.98
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
2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
CID 116681863
5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373187
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-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 99778820
2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 133373077
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131
3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 82994484
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80510249
3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360239

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile (CID 133378935) is 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCN(C(C)CO)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is QBHGYSKWUYPTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-13-14(10-17)16(19-18-15(13)5-2)21-8-6-20(7-9-21)12(3)11-22/h12,22H,4-9,11H2,1-3H3.
What are the key properties of 5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 303.41 g/mol, XLogP of 0.98, 5 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-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133378935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).