4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine

C13H12FN7O — CID 134139836

IUPAC4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
SMILESFc1ccc(-c2nnc3nnc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C13H12FN7O/c14-10-3-1-9(2-4-10)11-15-16-12-17-18-13(19-21(11)12)20-5-7-22-8-6-20/h1-4H,5-8H2
InChIKeyJEZIOFIBIMNFRP-UHFFFAOYSA-N
MW301.28 g/mol
LogP0.56
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine

4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine (PubChem CID 134139836) has the molecular formula C13H12FN7O and a molecular weight of 301.28 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
PubChem CID134139836
Molecular FormulaC13H12FN7O
Molecular Weight301.28 g/mol
Exact Mass301.11
IUPAC Name4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
SMILESFc1ccc(-c2nnc3nnc(N4CCOCC4)nn23)cc1
InChIInChI=1S/C13H12FN7O/c14-10-3-1-9(2-4-10)11-15-16-12-17-18-13(19-21(11)12)20-5-7-22-8-6-20/h1-4H,5-8H2
InChIKeyJEZIOFIBIMNFRP-UHFFFAOYSA-N
XLogP0.56
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine with MolForge

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Related Compounds

3-Phenyl-6-(4-morpholinyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 1505512
3-(4-Fluorophenyl)-6-morpholin-4-yl[1,2,4]triazolo[4,3-b]pyridazine
CID 21443955
4-[3-(4-Chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
CID 134146845
3-Phenyl-6-(N-morpholino)-1,2,4-triazolo[4,3-b][1,2,4,5]triazine
CID 574596
4-{[5-(4-methylphenyl)-2H-tetrazol-2-yl]methyl}-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1202671
4-{[5-(2-fluorophenyl)-2H-tetrazol-2-yl]methyl}-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1258305
3-Phenyl-5,7-di(piperidin-1-yl)[1,2,4]triazolo[4,3-a][1,3,5]triazine
CID 264679
4-[3-(2,4-Dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
CID 134138018
4-[3-(2-Chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine
CID 134145645
6-(4-Fluorophenyl)-3-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134146582
3-(4-Fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 134157679
8H-1,2,4-Triazolo(3,4-c)(1,4)oxazine, 5,6-dihydro-3-phenyl-
CID 3060517

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine?
The IUPAC name of 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine (CID 134139836) is 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine is Fc1ccc(-c2nnc3nnc(N4CCOCC4)nn23)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine?
The InChIKey is JEZIOFIBIMNFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN7O/c14-10-3-1-9(2-4-10)11-15-16-12-17-18-13(19-21(11)12)20-5-7-22-8-6-20/h1-4H,5-8H2.
What are the key properties of 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine?
4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine has a molecular weight of 301.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl]morpholine is sourced from PubChem (CID 134139836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).