5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C18H14F2N6O — CID 123864912

IUPAC5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C18H14F2N6O/c1-9-3-5-13(11(19)7-9)21-15-16(24-18-17(23-15)25-27-26-18)22-14-6-4-10(2)8-12(14)20/h3-8H,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyIRFALHDJFSOCPT-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.40
Rot. Bonds4

About 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 123864912) has the molecular formula C18H14F2N6O and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID123864912
Molecular FormulaC18H14F2N6O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2F)c(F)c1
InChIInChI=1S/C18H14F2N6O/c1-9-3-5-13(11(19)7-9)21-15-16(24-18-17(23-15)25-27-26-18)22-14-6-4-10(2)8-12(14)20/h3-8H,1-2H3,(H,21,23,25)(H,22,24,26)
InChIKeyIRFALHDJFSOCPT-UHFFFAOYSA-N
XLogP4.40
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

Bam15
CID 565708
N-Isopropyl-N'-phenyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 945568
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
N~5~,N~6~-bis(3-fluorophenyl)[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1203031
N,N'-bis[3-(trifluoromethyl)phenyl][1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4653667
6-N-(2,3-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482629
5-N,6-N-bis[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482634
6-N-(2,4-difluorophenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482639
5-N,6-N-bis[2-fluoro-4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482640
5-N-(2-fluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482641

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 123864912) is 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2F)c(F)c1.
What is the InChIKey of 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is IRFALHDJFSOCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O/c1-9-3-5-13(11(19)7-9)21-15-16(24-18-17(23-15)25-27-26-18)22-14-6-4-10(2)8-12(14)20/h3-8H,1-2H3,(H,21,23,25)(H,22,24,26).
What are the key properties of 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 368.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(2-fluoro-4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 123864912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).