5-chloro-2H,3H-(1,2,4)triazolo(4,3-a)pyrazin-3-one
Basic information
- CAS
1421601-17-3- Standard SMILES
O=c1[nH]nc2cncc(Cl)n12- InChIKey
SJKKQNWFYONCAP-UHFFFAOYSA-N- Molecular formula
- C5H3ClN4O
- Average molar mass
- 170.56 g/mol
- Monoisotopic mass
- 169.9995384
Names & identifiers
- Preferred name
- 5-chloro-2H,3H-(1,2,4)triazolo(4,3-a)pyrazin-3-one
- IUPAC
- 5-chloro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
Names & synonyms
5-chloro-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-3-one1421601-17-35-chloro-2H,3H-(1,2,4)triazolo(4,3-a)pyrazin-3-oneRefChem:534639833-494-95-Chloro-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one5-CHLORO-2H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-3-ONE5-Chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-olAKOS019745457AKOS026728533EN300-112165G51864
Show more names
Z1436543791
Database identifiers
- CAS
1421601-17-3- PubChem CID
- 71756579
- EC Number
- 833-494-9
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 306
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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