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

C18H10F6N6O3 — CID 142482723

IUPAC5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H10F6N6O3/c19-17(20,21)31-11-5-1-9(2-6-11)25-13-14(28-16-15(27-13)29-33-30-16)26-10-3-7-12(8-4-10)32-18(22,23)24/h1-8H,(H,25,27,29)(H,26,28,30)
InChIKeyULDXNMJBXCTGDZ-UHFFFAOYSA-N
MW472.31 g/mol
LogP5.30
Rot. Bonds6

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

5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482723) has the molecular formula C18H10F6N6O3 and a molecular weight of 472.31 g/mol. Its IUPAC name is 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482723
Molecular FormulaC18H10F6N6O3
Molecular Weight472.31 g/mol
Exact Mass472.07
IUPAC Name5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C18H10F6N6O3/c19-17(20,21)31-11-5-1-9(2-6-11)25-13-14(28-16-15(27-13)29-33-30-16)26-10-3-7-12(8-4-10)32-18(22,23)24/h1-8H,(H,25,27,29)(H,26,28,30)
InChIKeyULDXNMJBXCTGDZ-UHFFFAOYSA-N
XLogP5.30
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.31
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482723) is 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is FC(F)(F)Oc1ccc(Nc2nc3nonc3nc2Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is ULDXNMJBXCTGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N6O3/c19-17(20,21)31-11-5-1-9(2-6-11)25-13-14(28-16-15(27-13)29-33-30-16)26-10-3-7-12(8-4-10)32-18(22,23)24/h1-8H,(H,25,27,29)(H,26,28,30).
What are the key properties of 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 472.31 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis[4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).