5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

C16H11FN8O2 — CID 18361807

IUPAC5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESFCc1cc(-c2nnc3c4ccccc4c(OCc4ncn[nH]4)nn23)no1
InChIInChI=1S/C16H11FN8O2/c17-6-9-5-12(24-27-9)15-22-21-14-10-3-1-2-4-11(10)16(23-25(14)15)26-7-13-18-8-19-20-13/h1-5,8H,6-7H2,(H,18,19,20)
InChIKeyRPVPMTIYQMESPV-UHFFFAOYSA-N
MW366.32 g/mol
LogP2.10
Rot. Bonds5

About 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 18361807) has the molecular formula C16H11FN8O2 and a molecular weight of 366.32 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID18361807
Molecular FormulaC16H11FN8O2
Molecular Weight366.32 g/mol
Exact Mass366.10
IUPAC Name5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESFCc1cc(-c2nnc3c4ccccc4c(OCc4ncn[nH]4)nn23)no1
InChIInChI=1S/C16H11FN8O2/c17-6-9-5-12(24-27-9)15-22-21-14-10-3-1-2-4-11(10)16(23-25(14)15)26-7-13-18-8-19-20-13/h1-5,8H,6-7H2,(H,18,19,20)
InChIKeyRPVPMTIYQMESPV-UHFFFAOYSA-N
XLogP2.10
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 18361807) is 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is FCc1cc(-c2nnc3c4ccccc4c(OCc4ncn[nH]4)nn23)no1.
What is the InChIKey of 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is RPVPMTIYQMESPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN8O2/c17-6-9-5-12(24-27-9)15-22-21-14-10-3-1-2-4-11(10)16(23-25(14)15)26-7-13-18-8-19-20-13/h1-5,8H,6-7H2,(H,18,19,20).
What are the key properties of 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 366.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-[6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 18361807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).