8-Amino-1,2,4-triazolo[4,3-a]pyrazine
Basic information
- CAS
68774-79-8- Standard SMILES
Nc1nccn2cnnc12- InChIKey
RDUBUZQXHRTBOB-UHFFFAOYSA-N- Molecular formula
- C5H5N5
- Average molar mass
- 135.13 g/mol
- Monoisotopic mass
- 135.05449518
Names & identifiers
- Preferred name
- 8-Amino-1,2,4-triazolo[4,3-a]pyrazine
- IUPAC
- [1,2,4]triazolo[4,3-a]pyrazin-8-amine
- English name
- 8-AMINO-1,2,4-TRIAZOLO[4,3-A]PYRAZINE
- Molecular formula
- C5H5N5
- Molecular weight
- 135.13
Names & synonyms
68774-79-88-Amino-1,2,4-triazolo[4,3-a]pyrazine[1,2,4]triazolo[4,3-a]pyrazin-8-amineMFCD09999200NSC294775SCHEMBL21082025DTXSID30315477AKOS006305228DS-0367NSC-294775SY0768671,2,4-Triazolo[4,3-a]pyrazin-8-amine
Show more names
8-AMino-1,2,4-triazolo[4,3-a]pyrazinec
F076245
Database identifiers
- CAS
68774-79-8- PubChem CID
- 325680
- DTXSID
DTXSID30315477
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Density
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 1.92 · 1.92±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses8-Amino-1,2,4-triazolo[4,3-a]pyrazine is a derivative of S-Triazolo[4,3-a]pyrazine in a study to form 8-substituents as model molecules for an isomer of formycin. It is also an isomer of Adenine.
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Compound notes
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