3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole

C19H13FN6O2 — CID 18361770

IUPAC3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnc3c4c(F)cccc4c(OCc4ccccn4)nn23)no1
InChIInChI=1S/C19H13FN6O2/c1-11-9-15(25-28-11)17-22-23-18-16-13(6-4-7-14(16)20)19(24-26(17)18)27-10-12-5-2-3-8-21-12/h2-9H,10H2,1H3
InChIKeyNRLQJZCIUYJCLU-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.35
Rot. Bonds4

About 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole

3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole (PubChem CID 18361770) has the molecular formula C19H13FN6O2 and a molecular weight of 376.35 g/mol. Its IUPAC name is 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
PubChem CID18361770
Molecular FormulaC19H13FN6O2
Molecular Weight376.35 g/mol
Exact Mass376.11
IUPAC Name3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nnc3c4c(F)cccc4c(OCc4ccccn4)nn23)no1
InChIInChI=1S/C19H13FN6O2/c1-11-9-15(25-28-11)17-22-23-18-16-13(6-4-7-14(16)20)19(24-26(17)18)27-10-12-5-2-3-8-21-12/h2-9H,10H2,1H3
InChIKeyNRLQJZCIUYJCLU-UHFFFAOYSA-N
XLogP3.35
TPSA91.23 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole (CID 18361770) is 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole is Cc1cc(-c2nnc3c4c(F)cccc4c(OCc4ccccn4)nn23)no1.
What is the InChIKey of 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
The InChIKey is NRLQJZCIUYJCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O2/c1-11-9-15(25-28-11)17-22-23-18-16-13(6-4-7-14(16)20)19(24-26(17)18)27-10-12-5-2-3-8-21-12/h2-9H,10H2,1H3.
What are the key properties of 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole?
3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole has a molecular weight of 376.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-fluoro-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 18361770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).