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

C17H13FN8O2 — CID 18361809

IUPAC5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCn1cnc(COc2nn3c(-c4cc(CF)on4)nnc3c3ccccc23)n1
InChIInChI=1S/C17H13FN8O2/c1-25-9-19-14(22-25)8-27-17-12-5-3-2-4-11(12)15-20-21-16(26(15)23-17)13-6-10(7-18)28-24-13/h2-6,9H,7-8H2,1H3
InChIKeyLVYBIYAVJZFCQG-UHFFFAOYSA-N
MW380.34 g/mol
LogP2.11
Rot. Bonds5

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

5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (PubChem CID 18361809) has the molecular formula C17H13FN8O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
PubChem CID18361809
Molecular FormulaC17H13FN8O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC Name5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole
SMILESCn1cnc(COc2nn3c(-c4cc(CF)on4)nnc3c3ccccc23)n1
InChIInChI=1S/C17H13FN8O2/c1-25-9-19-14(22-25)8-27-17-12-5-3-2-4-11(12)15-20-21-16(26(15)23-17)13-6-10(7-18)28-24-13/h2-6,9H,7-8H2,1H3
InChIKeyLVYBIYAVJZFCQG-UHFFFAOYSA-N
XLogP2.11
TPSA109.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[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-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The IUPAC name of 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole (CID 18361809) is 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The canonical SMILES for 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is Cn1cnc(COc2nn3c(-c4cc(CF)on4)nnc3c3ccccc23)n1.
What is the InChIKey of 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
The InChIKey is LVYBIYAVJZFCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN8O2/c1-25-9-19-14(22-25)8-27-17-12-5-3-2-4-11(12)15-20-21-16(26(15)23-17)13-6-10(7-18)28-24-13/h2-6,9H,7-8H2,1H3.
What are the key properties of 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole?
5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole has a molecular weight of 380.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-3-[6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[3,4-a]phthalazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 18361809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).