methyl (3-amino-1H-1,2,4-triazol-5-yl)acetate hydrochloride
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Basic information
- CAS
1279219-32-7- Standard SMILES
COC(=O)Cc1nnc(N)[nH]1.Cl- InChIKey
BQMZIQANWPKELV-UHFFFAOYSA-N- Molecular formula
- C5H9ClN4O2
- Average molar mass
- 192.6 g/mol
- Monoisotopic mass
- 192.0414032
Names & identifiers
- Preferred name
- methyl (3-amino-1H-1,2,4-triazol-5-yl)acetate hydrochloride
- IUPAC
- methyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate;hydrochloride
- English name
- Methyl (3-amino-1H-1,2,4-triazol-5-yl)acetate hydrochloride
- Molecular formula
- C5H9ClN4O2
- Molecular weight
- 192.6
Names & synonyms
1279219-32-7methyl (3-amino-1H-1,2,4-triazol-5-yl)acetate hydrochloridemethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate;hydrochlorideMFCD19103320methyl 2-(5-amino-1H-1,2,4-triazol-3-yl)acetate hydrochlorideMethyl 2-(5-imino-2,5-dihydro-1h-1,2,4-triazol-3-yl)acetate hydrochlorideAKOS015955488CS-0302079H31451methyl(3-amino-1H-1,2,4-triazol-5-yl)acetatehydrochlorideMethyl (3-amino-1H-1,2,4-triazol-5-yl)acetatehydrochloridemethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate hydrochloride
Database identifiers
- CAS
1279219-32-7- PubChem CID
- 52997048
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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