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

C16H19FN6O2 — CID 25292807

IUPAC5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCCNc1nc2nonc2nc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN6O2/c1-23(10-11-4-6-12(17)7-5-11)16-15(18-8-3-9-24-2)19-13-14(20-16)22-25-21-13/h4-7H,3,8-10H2,1-2H3,(H,18,19,21)
InChIKeyDJOGZVBRIJESFF-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.24
Rot. Bonds8

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

5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 25292807) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID25292807
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCOCCCNc1nc2nonc2nc1N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN6O2/c1-23(10-11-4-6-12(17)7-5-11)16-15(18-8-3-9-24-2)19-13-14(20-16)22-25-21-13/h4-7H,3,8-10H2,1-2H3,(H,18,19,21)
InChIKeyDJOGZVBRIJESFF-UHFFFAOYSA-N
XLogP2.24
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 25292807) is 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is COCCCNc1nc2nonc2nc1N(C)Cc1ccc(F)cc1.
What is the InChIKey of 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is DJOGZVBRIJESFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O2/c1-23(10-11-4-6-12(17)7-5-11)16-15(18-8-3-9-24-2)19-13-14(20-16)22-25-21-13/h4-7H,3,8-10H2,1-2H3,(H,18,19,21).
What are the key properties of 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 346.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(4-fluorophenyl)methyl]-6-N-(3-methoxypropyl)-5-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 25292807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).