3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine

C18H19FN6 — CID 133412730

IUPAC3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
SMILESFc1ccc(-c2ccc(N3CCC(Cn4ccnn4)CC3)nn2)cc1
InChIInChI=1S/C18H19FN6/c19-16-3-1-15(2-4-16)17-5-6-18(22-21-17)24-10-7-14(8-11-24)13-25-12-9-20-23-25/h1-6,9,12,14H,7-8,10-11,13H2
InChIKeyXUCWFJUDQWMGLC-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.79
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine

3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine (PubChem CID 133412730) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
PubChem CID133412730
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
SMILESFc1ccc(-c2ccc(N3CCC(Cn4ccnn4)CC3)nn2)cc1
InChIInChI=1S/C18H19FN6/c19-16-3-1-15(2-4-16)17-5-6-18(22-21-17)24-10-7-14(8-11-24)13-25-12-9-20-23-25/h1-6,9,12,14H,7-8,10-11,13H2
InChIKeyXUCWFJUDQWMGLC-UHFFFAOYSA-N
XLogP2.79
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine
CID 133412698
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
1-[6-(4-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770273
5-bromo-2-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridine
CID 71967664
3-(4-cyclohexyloxypiperidin-1-yl)-6-(4-fluorophenyl)pyridazine
CID 133278346
3-(4-fluorophenyl)-6-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyridazine
CID 133341779
4-[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methylmorpholine
CID 133271900
[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]phenyl]methanol
CID 121224989
N,N-dibenzyl-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30362794
1-[(5-fluoro-1-benzofuran-2-yl)methyl]-4-(triazol-1-ylmethyl)piperidine
CID 75515142
5-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]pyridin-2-amine
CID 133304096
N-(3-ethoxypropyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 51691180

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine (CID 133412730) is 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine is Fc1ccc(-c2ccc(N3CCC(Cn4ccnn4)CC3)nn2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine?
The InChIKey is XUCWFJUDQWMGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c19-16-3-1-15(2-4-16)17-5-6-18(22-21-17)24-10-7-14(8-11-24)13-25-12-9-20-23-25/h1-6,9,12,14H,7-8,10-11,13H2.
What are the key properties of 3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine?
3-(4-fluorophenyl)-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine has a molecular weight of 338.39 g/mol, XLogP of 2.79, 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-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyridazine is sourced from PubChem (CID 133412730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).