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

C18H15FN6O2 — CID 142482662

IUPAC6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCOc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1
InChIInChI=1S/C18H15FN6O2/c1-2-26-12-7-5-6-11(10-12)20-15-16(21-14-9-4-3-8-13(14)19)23-18-17(22-15)24-27-25-18/h3-10H,2H2,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyDPBWBPIYWKTYAK-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.04
Rot. Bonds6

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

6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 142482662) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID142482662
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCCOc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1
InChIInChI=1S/C18H15FN6O2/c1-2-26-12-7-5-6-11(10-12)20-15-16(21-14-9-4-3-8-13(14)19)23-18-17(22-15)24-27-25-18/h3-10H,2H2,1H3,(H,20,22,24)(H,21,23,25)
InChIKeyDPBWBPIYWKTYAK-UHFFFAOYSA-N
XLogP4.04
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 142482662) is 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CCOc1cccc(Nc2nc3nonc3nc2Nc2ccccc2F)c1.
What is the InChIKey of 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is DPBWBPIYWKTYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-2-26-12-7-5-6-11(10-12)20-15-16(21-14-9-4-3-8-13(14)19)23-18-17(22-15)24-27-25-18/h3-10H,2H2,1H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 366.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-ethoxyphenyl)-5-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 142482662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).