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

C9H11F3N6O2 — CID 42214528

IUPAC6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCNc1nc2nonc2nc1NCC(F)(F)F
InChIInChI=1S/C9H11F3N6O2/c1-19-3-2-13-5-6(14-4-9(10,11)12)16-8-7(15-5)17-20-18-8/h2-4H2,1H3,(H,13,15,17)(H,14,16,18)
InChIKeyUKSVLICLDMVKHR-UHFFFAOYSA-N
MW292.22 g/mol
LogP1.05
Rot. Bonds6

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

6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42214528) has the molecular formula C9H11F3N6O2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42214528
Molecular FormulaC9H11F3N6O2
Molecular Weight292.22 g/mol
Exact Mass292.09
IUPAC Name6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCNc1nc2nonc2nc1NCC(F)(F)F
InChIInChI=1S/C9H11F3N6O2/c1-19-3-2-13-5-6(14-4-9(10,11)12)16-8-7(15-5)17-20-18-8/h2-4H2,1H3,(H,13,15,17)(H,14,16,18)
InChIKeyUKSVLICLDMVKHR-UHFFFAOYSA-N
XLogP1.05
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42214528) is 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCNc1nc2nonc2nc1NCC(F)(F)F.
What is the InChIKey of 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is UKSVLICLDMVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N6O2/c1-19-3-2-13-5-6(14-4-9(10,11)12)16-8-7(15-5)17-20-18-8/h2-4H2,1H3,(H,13,15,17)(H,14,16,18).
What are the key properties of 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 292.22 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-5-N-(2,2,2-trifluoroethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42214528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).