3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine

C21H14FN5O — CID 11164596

IUPAC3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESFc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1
InChIInChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2
InChIKeyOKGJPMZATLJSGV-UHFFFAOYSA-N
MW371.38 g/mol
LogP4.06
Rot. Bonds4

About 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine

3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (PubChem CID 11164596) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
PubChem CID11164596
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC Name3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine
SMILESFc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1
InChIInChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2
InChIKeyOKGJPMZATLJSGV-UHFFFAOYSA-N
XLogP4.06
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The IUPAC name of 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine (CID 11164596) is 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is Fc1ccc(-c2nnc3c4ccccc4c(OCc4ccccn4)nn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
The InChIKey is OKGJPMZATLJSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c22-15-10-8-14(9-11-15)19-24-25-20-17-6-1-2-7-18(17)21(26-27(19)20)28-13-16-5-3-4-12-23-16/h1-12H,13H2.
What are the key properties of 3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine?
3-(4-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine has a molecular weight of 371.38 g/mol, XLogP of 4.06, 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-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazine is sourced from PubChem (CID 11164596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).