Methyl 3-azido-1H-1,2,4-triazole-5-carboxylate
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Basic information
- CAS
53566-46-4- Standard SMILES
COC(=O)c1n[nH]c(N=[N+]=[N-])n1- InChIKey
MSHJMHKWBFZBPP-UHFFFAOYSA-N- Molecular formula
- C4H4N6O2
- Average molar mass
- 168.11 g/mol
- Monoisotopic mass
- 168.03957339
Names & identifiers
- Preferred name
- Methyl 3-azido-1H-1,2,4-triazole-5-carboxylate
- IUPAC
- methyl 5-azido-1H-1,2,4-triazole-3-carboxylate
- English name
- 3-Azido-5-carbomethoxy-1,2,4-triazole
- Molecular formula
- C4H4N6O2
- Molecular weight
- 0
Names & synonyms
53566-46-4methyl 3-azido-1H-1,2,4-triazole-5-carboxylateDTXSID10478670RefChem:354870DTXCID104294803-Azido-5-carbomethoxy-1,2,4-triazole
Database identifiers
- CAS
53566-46-4- PubChem CID
- 136249052
- DTXSID
DTXSID10478670- Nikkaji
- J2.130.927C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
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Compound notes
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