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N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

C18H11F4N5O — CID 159464829

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESFc1ccccc1Nc1nc2nonc2nc1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11F4N5O/c19-12-6-1-2-7-13(12)23-15-14(24-16-17(25-15)27-28-26-16)9-10-4-3-5-11(8-10)18(20,21)22/h1-8H,9H2,(H,23,25,27)
InChIKeyLVAWCSRDQDJPSL-UHFFFAOYSA-N
MW389.31 g/mol
LogP4.51
Rot. Bonds4

About N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 159464829) has the molecular formula C18H11F4N5O and a molecular weight of 389.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID159464829
Molecular FormulaC18H11F4N5O
Molecular Weight389.31 g/mol
Exact Mass389.09
IUPAC NameN-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESFc1ccccc1Nc1nc2nonc2nc1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H11F4N5O/c19-12-6-1-2-7-13(12)23-15-14(24-16-17(25-15)27-28-26-16)9-10-4-3-5-11(8-10)18(20,21)22/h1-8H,9H2,(H,23,25,27)
InChIKeyLVAWCSRDQDJPSL-UHFFFAOYSA-N
XLogP4.51
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 159464829) is N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is Fc1ccccc1Nc1nc2nonc2nc1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is LVAWCSRDQDJPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O/c19-12-6-1-2-7-13(12)23-15-14(24-16-17(25-15)27-28-26-16)9-10-4-3-5-11(8-10)18(20,21)22/h1-8H,9H2,(H,23,25,27).
What are the key properties of N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 389.31 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 159464829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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