4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

C15H14FN5O — CID 21443955

IUPAC4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
SMILESFc1ccc(-c2nnc3ccc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C15H14FN5O/c16-12-3-1-11(2-4-12)15-18-17-13-5-6-14(19-21(13)15)20-7-9-22-10-8-20/h1-6H,7-10H2
InChIKeyJMKMFRRNCZISOF-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.77
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine

4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine (PubChem CID 21443955) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
PubChem CID21443955
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine
SMILESFc1ccc(-c2nnc3ccc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C15H14FN5O/c16-12-3-1-11(2-4-12)15-18-17-13-5-6-14(19-21(13)15)20-7-9-22-10-8-20/h1-6H,7-10H2
InChIKeyJMKMFRRNCZISOF-UHFFFAOYSA-N
XLogP1.77
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2,4-Triazolo(3,4-a)phthalazine, 6-(4-morpholinyl)-3-phenyl-
CID 3071186
DPP-4 inhibitor 3
CID 155524302
3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 647327
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-phenyl-
CID 3071184
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-methylphenyl)-
CID 3071217
1,2,4-Triazolo(3,4-a)phthalazin-6-amine, N,N-bis(2-methoxyethyl)-3-(4-fluorophenyl)-
CID 3087235
3-Phenyl-6-(4-morpholinyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 1505512
Pyrazolo[1,5-a]-1,3,5-triazine, 13-3
CID 42618209
4-(2-Methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1850847
2-[[2-Ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
CID 3231332
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
4-(2,5-Dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4904826

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine (CID 21443955) is 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine is Fc1ccc(-c2nnc3ccc(N4CCOCC4)nn23)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
The InChIKey is JMKMFRRNCZISOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-12-3-1-11(2-4-12)15-18-17-13-5-6-14(19-21(13)15)20-7-9-22-10-8-20/h1-6H,7-10H2.
What are the key properties of 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine?
4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine has a molecular weight of 299.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]morpholine is sourced from PubChem (CID 21443955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).