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

C17H12FN5O — CID 158197542

IUPAC6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESFc1ccccc1Nc1nc2nonc2nc1Cc1ccccc1
InChIInChI=1S/C17H12FN5O/c18-12-8-4-5-9-13(12)19-15-14(10-11-6-2-1-3-7-11)20-16-17(21-15)23-24-22-16/h1-9H,10H2,(H,19,21,23)
InChIKeyGANFLXCCIYTMCZ-UHFFFAOYSA-N
MW321.32 g/mol
LogP3.49
Rot. Bonds4

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

6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 158197542) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID158197542
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESFc1ccccc1Nc1nc2nonc2nc1Cc1ccccc1
InChIInChI=1S/C17H12FN5O/c18-12-8-4-5-9-13(12)19-15-14(10-11-6-2-1-3-7-11)20-16-17(21-15)23-24-22-16/h1-9H,10H2,(H,19,21,23)
InChIKeyGANFLXCCIYTMCZ-UHFFFAOYSA-N
XLogP3.49
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bam15
CID 565708
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426
2,6-Dphenyl-8-propyl-1-deazapurine
CID 16109427
5,6-Diphenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 568592
Furazano[3,4-b]pyrazine-5,6-diamine, N,N'-di(2,4-difluorophenyl)-
CID 597054
5-N,6-N-bis(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 698543
6-N-(4-chlorophenyl)-5-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 15991274
2,6-Diphenyl-8-ethyl-1-deazapurine
CID 16109432
2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59579045
[2-Amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-phenyl-methanone oxime
CID 135480594
4-[1-(4-Fluoro-benzyl)-1H-benzoimidazol-2-yl]-furazan-3-ylamine
CID 573353
4-[1-[(2-Fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 753157

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 158197542) is 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is Fc1ccccc1Nc1nc2nonc2nc1Cc1ccccc1.
What is the InChIKey of 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is GANFLXCCIYTMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-12-8-4-5-9-13(12)19-15-14(10-11-6-2-1-3-7-11)20-16-17(21-15)23-24-22-16/h1-9H,10H2,(H,19,21,23).
What are the key properties of 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 321.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 158197542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).