6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C15H12FN9O2 — CID 6026197

IUPAC6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC/C(=N/Nc1nc2nonc2nc1Nc1ccc(F)cc1)c1nonc1C
InChIInChI=1S/C15H12FN9O2/c1-7(11-8(2)22-26-23-11)20-21-13-12(17-10-5-3-9(16)4-6-10)18-14-15(19-13)25-27-24-14/h3-6H,1-2H3,(H,17,18,24)(H,19,21,25)/b20-7-
InChIKeyNJYVGMKTBBLJFQ-SCDVKCJHSA-N
MW369.32 g/mol
LogP2.42
Rot. Bonds5

About 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 6026197) has the molecular formula C15H12FN9O2 and a molecular weight of 369.32 g/mol. Its IUPAC name is 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID6026197
Molecular FormulaC15H12FN9O2
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC Name6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESC/C(=N/Nc1nc2nonc2nc1Nc1ccc(F)cc1)c1nonc1C
InChIInChI=1S/C15H12FN9O2/c1-7(11-8(2)22-26-23-11)20-21-13-12(17-10-5-3-9(16)4-6-10)18-14-15(19-13)25-27-24-14/h3-6H,1-2H3,(H,17,18,24)(H,19,21,25)/b20-7-
InChIKeyNJYVGMKTBBLJFQ-SCDVKCJHSA-N
XLogP2.42
TPSA140.04 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 6026197) is 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is C/C(=N/Nc1nc2nonc2nc1Nc1ccc(F)cc1)c1nonc1C.
What is the InChIKey of 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is NJYVGMKTBBLJFQ-SCDVKCJHSA-N. The full InChI is InChI=1S/C15H12FN9O2/c1-7(11-8(2)22-26-23-11)20-21-13-12(17-10-5-3-9(16)4-6-10)18-14-15(19-13)25-27-24-14/h3-6H,1-2H3,(H,17,18,24)(H,19,21,25)/b20-7-.
What are the key properties of 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 369.32 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-fluorophenyl)-5-N-[(Z)-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 6026197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).