3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine

C20H23FN6 — CID 133448850

IUPAC3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine
SMILESCC(C)n1cnnc1C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C20H23FN6/c1-14(2)27-13-22-25-20(27)16-4-3-11-26(12-16)19-10-9-18(23-24-19)15-5-7-17(21)8-6-15/h5-10,13-14,16H,3-4,11-12H2,1-2H3
InChIKeyWDDMKBJIVFVWFV-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.84
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine

3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine (PubChem CID 133448850) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine
PubChem CID133448850
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine
SMILESCC(C)n1cnnc1C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1
InChIInChI=1S/C20H23FN6/c1-14(2)27-13-22-25-20(27)16-4-3-11-26(12-16)19-10-9-18(23-24-19)15-5-7-17(21)8-6-15/h5-10,13-14,16H,3-4,11-12H2,1-2H3
InChIKeyWDDMKBJIVFVWFV-UHFFFAOYSA-N
XLogP3.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-6-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyridazine
CID 97195094
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 86906204
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
3-ethylsulfanyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]azepane
CID 133311303
3-propan-2-yl-5-[2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole
CID 133448829
3-fluoro-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133448595
[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133384643
(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97019126
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 133448976
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133449020

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine (CID 133448850) is 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine is CC(C)n1cnnc1C1CCCN(c2ccc(-c3ccc(F)cc3)nn2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine?
The InChIKey is WDDMKBJIVFVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c1-14(2)27-13-22-25-20(27)16-4-3-11-26(12-16)19-10-9-18(23-24-19)15-5-7-17(21)8-6-15/h5-10,13-14,16H,3-4,11-12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine?
3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine has a molecular weight of 366.44 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 133448850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).