1h-Pyrazolo[3,4-b]pyrazin-3-amine
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Basic information
- CAS
81411-64-5- Standard SMILES
Nc1[nH]nc2nccnc12- InChIKey
FPPZCGSFUJKIER-UHFFFAOYSA-N- Molecular formula
- C5H5N5
- Average molar mass
- 135.13 g/mol
- Monoisotopic mass
- 135.05449518
Names & identifiers
- Preferred name
- 1h-Pyrazolo[3,4-b]pyrazin-3-amine
- IUPAC
- 2H-pyrazolo[3,4-b]pyrazin-3-amine
- English name
- 1H-PYRAZOLO[3,4-B]PYRAZIN-3-AMINE
- Molecular formula
- C5H5N5
- Molecular weight
- 135.13
Names & synonyms
1h-pyrazolo[3,4-b]pyrazin-3-amineDTXSID703038581H-pyrazolo(3,4-b)pyrazin-3-amineRefChem:439147DTXCID50254990868-261-081411-64-52H-pyrazolo[3,4-b]pyrazin-3-amine3-Amino-1H-pyrazolo[3,4-b]pyrazineMFCD09909663NSC163011SCHEMBL14763597
Show more names
3-aminopyrazolopyrazine
SCHEMBL14763598SCHEMBL301809243-aminopyrazolo<3,4-b>pyrazineFPPZCGSFUJKIER-UHFFFAOYSA-NAKOS006312443CS-W003687MB08181NSC-163011
Database identifiers
- CAS
81411-64-5- PubChem CID
- 294464
- DTXSID
DTXSID70303858- EC Number
- 868-261-0
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 244 · 244-246 °C(Solv: ethanol (64-17-5))
- Boiling point
- 281.1 · 281.1±23.0 °C(Predicted)
- Density
- 1.89 · 1.89±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 6.62 · 6.62±0.20(Predicted)
- Appearance
- Brown to khaki Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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