5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

C16H11FN8O2 — CID 172689878

IUPAC5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCOc1cccc2c1c(-c1ncn[nH]1)nn1c(-c3cc(CF)on3)nnc21
InChIInChI=1S/C16H11FN8O2/c1-26-11-4-2-3-9-12(11)13(14-18-7-19-20-14)23-25-15(9)21-22-16(25)10-5-8(6-17)27-24-10/h2-5,7H,6H2,1H3,(H,18,19,20)
InChIKeyBNPHYBYAOPNDRU-UHFFFAOYSA-N
MW366.32 g/mol
LogP2.20
Rot. Bonds4

About 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole

5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 172689878) has the molecular formula C16H11FN8O2 and a molecular weight of 366.32 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID172689878
Molecular FormulaC16H11FN8O2
Molecular Weight366.32 g/mol
Exact Mass366.10
IUPAC Name5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCOc1cccc2c1c(-c1ncn[nH]1)nn1c(-c3cc(CF)on3)nnc21
InChIInChI=1S/C16H11FN8O2/c1-26-11-4-2-3-9-12(11)13(14-18-7-19-20-14)23-25-15(9)21-22-16(25)10-5-8(6-17)27-24-10/h2-5,7H,6H2,1H3,(H,18,19,20)
InChIKeyBNPHYBYAOPNDRU-UHFFFAOYSA-N
XLogP2.20
TPSA119.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 172689878) is 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is COc1cccc2c1c(-c1ncn[nH]1)nn1c(-c3cc(CF)on3)nnc21.
What is the InChIKey of 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is BNPHYBYAOPNDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN8O2/c1-26-11-4-2-3-9-12(11)13(14-18-7-19-20-14)23-25-15(9)21-22-16(25)10-5-8(6-17)27-24-10/h2-5,7H,6H2,1H3,(H,18,19,20).
What are the key properties of 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 366.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-[7-methoxy-6-(1H-1,2,4-triazol-5-yl)-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 172689878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).