Basic information
- CAS
4254-55-1- Standard SMILES
Cn1ncn(N)c1=O- InChIKey
ZEBYNMYXQZRGNV-UHFFFAOYSA-N- Molecular formula
- C3H6N4O
- Average molar mass
- 114.11 g/mol
- Monoisotopic mass
- 114.05416083
Names & identifiers
- Preferred name
- 4-amino-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
- IUPAC
- 4-amino-2-methyl-1,2,4-triazol-3-one
Names & synonyms
4254-55-14-amino-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-oneRefChem:517484825-491-64-amino-2-methyl-1,2,4-triazol-3-one4-Amino-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-oneZEBYNMYXQZRGNV-UHFFFAOYSA-NAKOS026727454DB-138192EN300-1348671-Methyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one4-Amino-2,4-dihydro-2-methyl-3H-1,2,4-triazol-3-one
Show more names
4-Amino-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one #
Database identifiers
- CAS
4254-55-1- PubChem CID
- 575006
- EC Number
- 825-491-6
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 142
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
Loading…