1,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-
Basic information
- CAS
246048-66-8- Standard SMILES
Nc1nonc1-c1n[nH]c(-c2nonc2N)n1- InChIKey
FRGIXFDKYSYJKD-UHFFFAOYSA-N- Molecular formula
- C6H5N9O2
- Average molar mass
- 235.16 g/mol
- Monoisotopic mass
- 235.05662044
Names & identifiers
- Preferred name
- 1,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-
- IUPAC
- 4-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-amine
Names & synonyms
246048-66-8DTXSID603469361,2,5-Oxadiazol-3-amine, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-RefChem:215346DTXCID20298008FRGIXFDKYSYJKD-UHFFFAOYSA-NSTL149707AKOS005749590AKOS030513716AG-205/13631467SR-010005302311,2,4-Triazole, 3,5-bis(4-amino-3-furazanyl)-
Show more names
SR-01000530231-13,5-bis(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-triazole4,4'-(1H-1,2,4-Triazole-3,5-diyl)di(1,2,5-oxadiazol-3-amine)4,4'-(1H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)4,4'-(4H-1,2,4-triazole-3,5-diyl)bis(1,2,5-oxadiazol-3-amine)4-[3-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-ylamine4-[3-(4-Amino-1,2,5-oxadiazol-3-yl)-1H-1,2,4-triazol-5-yl]-1,2,5-oxadiazol-3-ylamine #
Database identifiers
- CAS
246048-66-8- PubChem CID
- 616587
- DTXSID
DTXSID60346936
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
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Compound notes
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