5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C17H13FN6O2 — CID 142482684

IUPAC5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1
InChIInChI=1S/C17H13FN6O2/c1-25-11-6-4-5-10(9-11)19-14-15(20-13-8-3-2-7-12(13)18)22-17-16(21-14)23-26-24-17/h2-9H,1H3,(H,19,21,23)(H,20,22,24)
InChIKeyPWDZOKZWGWUWJI-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.65
Rot. Bonds5

About 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482684) has the molecular formula C17H13FN6O2 and a molecular weight of 352.33 g/mol. Its IUPAC name is 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482684
Molecular FormulaC17H13FN6O2
Molecular Weight352.33 g/mol
Exact Mass352.11
IUPAC Name5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1
InChIInChI=1S/C17H13FN6O2/c1-25-11-6-4-5-10(9-11)19-14-15(20-13-8-3-2-7-12(13)18)22-17-16(21-14)23-26-24-17/h2-9H,1H3,(H,19,21,23)(H,20,22,24)
InChIKeyPWDZOKZWGWUWJI-UHFFFAOYSA-N
XLogP3.65
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482661
5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2869541
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
5-N-(3-chlorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155527
5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 146200481
2-(2-fluoroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 23632516
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
2-fluoro-6-(3-methoxyanilino)benzenecarbothioamide
CID 79513512
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482684) is 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1.
What is the InChIKey of 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is PWDZOKZWGWUWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O2/c1-25-11-6-4-5-10(9-11)19-14-15(20-13-8-3-2-7-12(13)18)22-17-16(21-14)23-26-24-17/h2-9H,1H3,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 352.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).