1-(quinoxalin-2-yl)-1H-pyrazol-4-amine
Basic information
- CAS
1249727-22-7- Standard SMILES
Nc1cnn(-c2cnc3ccccc3n2)c1- InChIKey
MOUJYTPDALIDQT-UHFFFAOYSA-N- Molecular formula
- C11H9N5
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.08579531
Names & identifiers
- Preferred name
- 1-(quinoxalin-2-yl)-1H-pyrazol-4-amine
- IUPAC
- 1-quinoxalin-2-ylpyrazol-4-amine
Names & synonyms
1-(quinoxalin-2-yl)-1H-pyrazol-4-amine1249727-22-7RefChem:428668850-555-51-quinoxalin-2-ylpyrazol-4-amineCHEMBL5001802SCHEMBL21788594ZZB72722AKOS011644501EN300-119077Z979456242
Database identifiers
- CAS
1249727-22-7- PubChem CID
- 62358951
- ChEMBL
CHEMBL5001802- EC Number
- 850-555-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
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, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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