4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine

C6H5N9O2 — CID 57408184

IUPAC4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine
SMILESCOc1nonc1Nc1nnc2nncn2n1
InChIInChI=1S/C6H5N9O2/c1-16-4-3(13-17-14-4)8-5-9-11-6-10-7-2-15(6)12-5/h2H,1H3,(H,8,12,13)
InChIKeyWGOGDZFFLJHNBX-UHFFFAOYSA-N
MW235.17 g/mol
LogP-0.95
Rot. Bonds3

About 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine

4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 57408184) has the molecular formula C6H5N9O2 and a molecular weight of 235.17 g/mol. Its IUPAC name is 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine
PubChem CID57408184
Molecular FormulaC6H5N9O2
Molecular Weight235.17 g/mol
Exact Mass235.06
IUPAC Name4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine
SMILESCOc1nonc1Nc1nnc2nncn2n1
InChIInChI=1S/C6H5N9O2/c1-16-4-3(13-17-14-4)8-5-9-11-6-10-7-2-15(6)12-5/h2H,1H3,(H,8,12,13)
InChIKeyWGOGDZFFLJHNBX-UHFFFAOYSA-N
XLogP-0.95
TPSA129.04 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine (CID 57408184) is 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine is COc1nonc1Nc1nnc2nncn2n1.
What is the InChIKey of 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is WGOGDZFFLJHNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N9O2/c1-16-4-3(13-17-14-4)8-5-9-11-6-10-7-2-15(6)12-5/h2H,1H3,(H,8,12,13).
What are the key properties of 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine?
4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 235.17 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 57408184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).