7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
Basic information
- CAS
89975-57-5- Standard SMILES
N#Cc1cnc2ccnn2c1N- InChIKey
XBKLUCYMMSKAEI-UHFFFAOYSA-N- Molecular formula
- C7H5N5
- Average molar mass
- 159.15 g/mol
- Monoisotopic mass
- 159.05449518
Names & identifiers
- Preferred name
- 7-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrile
- IUPAC
- 7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
- English name
- 7-Aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile
- Molecular formula
- C7H5N5
- Molecular weight
- 159.15
Names & synonyms
7-aminopyrazolo[1,5-a]pyrimidine-6-carbonitrile89975-57-5DTXSID803845577-Aminopyrazolo(1,5-a)pyrimidine-6-carbonitrileRefChem:310289DTXCID00335581664-159-3MFCD00104599Pyrazolo[1,5-a]pyrimidine-6-carbonitrile, 7-amino-7-Amino-6-cyanopyrazolo[1,5-a]pyrimidineSCHEMBL16866775HMS1662P07
Show more names
PDA97557SBB052060STL315361AKOS005747071AKOS022133620CS-10378SY021426TS-00101
Database identifiers
- CAS
89975-57-5- PubChem CID
- 2807616
- DTXSID
DTXSID80384557- EC Number
- 664-159-3
- Nikkaji
- J1.586.722A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 306 · 306-308 °C(Solv: ethanol (64-17-5))
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 2.37 · 2.37±0.40(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P310-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P301+P310-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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