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

C17H11F2N5O — CID 161235637

IUPACN-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESFc1ccc(Cc2nc3nonc3nc2Nc2ccccc2F)cc1
InChIInChI=1S/C17H11F2N5O/c18-11-7-5-10(6-8-11)9-14-15(20-13-4-2-1-3-12(13)19)22-17-16(21-14)23-25-24-17/h1-8H,9H2,(H,20,22,24)
InChIKeyUZIGYBNOSLGMMS-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.63
Rot. Bonds4

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

N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 161235637) has the molecular formula C17H11F2N5O and a molecular weight of 339.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID161235637
Molecular FormulaC17H11F2N5O
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC NameN-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESFc1ccc(Cc2nc3nonc3nc2Nc2ccccc2F)cc1
InChIInChI=1S/C17H11F2N5O/c18-11-7-5-10(6-8-11)9-14-15(20-13-4-2-1-3-12(13)19)22-17-16(21-14)23-25-24-17/h1-8H,9H2,(H,20,22,24)
InChIKeyUZIGYBNOSLGMMS-UHFFFAOYSA-N
XLogP3.63
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.63
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
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-(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
4-[1-(3-fluorobenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 777775
N~5~,N~6~-bis(3-fluorophenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1203031

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 161235637) is N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is Fc1ccc(Cc2nc3nonc3nc2Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is UZIGYBNOSLGMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O/c18-11-7-5-10(6-8-11)9-14-15(20-13-4-2-1-3-12(13)19)22-17-16(21-14)23-25-24-17/h1-8H,9H2,(H,20,22,24).
What are the key properties of N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
N-(2-fluorophenyl)-6-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 339.31 g/mol, XLogP of 3.63, 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-[(4-fluorophenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 161235637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).