5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C14H14FN5O2 — CID 146200481

IUPAC5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCCCCOc1nc2nonc2nc1Nc1ccccc1F
InChIInChI=1S/C14H14FN5O2/c1-2-3-8-21-14-13(16-10-7-5-4-6-9(10)15)17-11-12(18-14)20-22-19-11/h4-7H,2-3,8H2,1H3,(H,16,17,19)
InChIKeyVTIKVPGIJZOJMT-UHFFFAOYSA-N
MW303.30 g/mol
LogP3.07
Rot. Bonds6

About 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 146200481) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID146200481
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCCCCOc1nc2nonc2nc1Nc1ccccc1F
InChIInChI=1S/C14H14FN5O2/c1-2-3-8-21-14-13(16-10-7-5-4-6-9(10)15)17-11-12(18-14)20-22-19-11/h4-7H,2-3,8H2,1H3,(H,16,17,19)
InChIKeyVTIKVPGIJZOJMT-UHFFFAOYSA-N
XLogP3.07
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
5-N-(2,5-dimethoxyphenyl)-6-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 2869541
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
5-N-(2-fluorophenyl)-6-N-(3-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482684
5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482661
5-butoxy-6-[(4-methylphenyl)methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 157453171
N-(2-fluorophenyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 159464829
N-(2-fluorophenyl)-5-[(3R)-3-methylpiperidin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 781876
6-N-(4-butylphenyl)-4-N-(2-fluorophenyl)pyrimidine-4,5,6-triamine
CID 22540036
5-N,6-N-bis(4-chloro-2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 72703619
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 146200481) is 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is CCCCOc1nc2nonc2nc1Nc1ccccc1F.
What is the InChIKey of 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is VTIKVPGIJZOJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-2-3-8-21-14-13(16-10-7-5-4-6-9(10)15)17-11-12(18-14)20-22-19-11/h4-7H,2-3,8H2,1H3,(H,16,17,19).
What are the key properties of 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 303.30 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N-(2-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 146200481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).