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

C17H23N7 — CID 133363785

IUPAC5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC(c3n[nH]c(C)n3)C2)c(C#N)c1CC
InChIInChI=1S/C17H23N7/c1-4-13-14(9-18)17(23-21-15(13)5-2)24-8-6-7-12(10-24)16-19-11(3)20-22-16/h12H,4-8,10H2,1-3H3,(H,19,20,22)
InChIKeyUIDUPMUFBLQOFJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.28
Rot. Bonds4

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

5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133363785) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
PubChem CID133363785
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCCC(c3n[nH]c(C)n3)C2)c(C#N)c1CC
InChIInChI=1S/C17H23N7/c1-4-13-14(9-18)17(23-21-15(13)5-2)24-8-6-7-12(10-24)16-19-11(3)20-22-16/h12H,4-8,10H2,1-3H3,(H,19,20,22)
InChIKeyUIDUPMUFBLQOFJ-UHFFFAOYSA-N
XLogP2.28
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373838
5,6-diethyl-3-(3-pyrazol-1-ylpiperidin-1-yl)pyridazine-4-carbonitrile
CID 133361030
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
5,6-diethyl-3-(2-propan-2-ylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80510249
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
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133373131
5,6-diethyl-3-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 129482170
3-(3,3-dimethylpiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 82994484
3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510045
5,6-diethyl-3-[4-[(S)-hydroxy(1H-imidazol-2-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 99778820

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile (CID 133363785) is 5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCCC(c3n[nH]c(C)n3)C2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is UIDUPMUFBLQOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-4-13-14(9-18)17(23-21-15(13)5-2)24-8-6-7-12(10-24)16-19-11(3)20-22-16/h12H,4-8,10H2,1-3H3,(H,19,20,22).
What are the key properties of 5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 2.28, 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-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133363785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).