Basic information
- CAS
856863-17-7- Standard SMILES
NC(=O)Cc1ncn[nH]1- InChIKey
HVJKVFXYRYHZQF-UHFFFAOYSA-N- Molecular formula
- C4H6N4O
- Average molar mass
- 126.12 g/mol
- Monoisotopic mass
- 126.05416083
Names & identifiers
- Preferred name
- 2-(1H-1,2,4-triazol-3-yl)acetamide
- IUPAC
- 2-(1H-1,2,4-triazol-5-yl)acetamide
Names & synonyms
856863-17-72-(1H-1,2,4-triazol-3-yl)acetamideRefChem:451342899-228-92-(1H-1,2,4-Triazol-5-yl)acetamideSCHEMBL11180456SCHEMBL12050695SCHEMBL15741885SCHEMBL16828844SCHEMBL16829135HVJKVFXYRYHZQF-UHFFFAOYSA-N1H-1,2,4-triazole-5-acetamide
Show more names
GJB86317SBB051627STL433186AKOS006341543AKOS016347712DB-132778ST4150670EN300-1694126
Database identifiers
- CAS
856863-17-7- PubChem CID
- 20107017
- EC Number
- 899-228-9
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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