Basic information
- CAS
64074-25-5- Standard SMILES
COC(=O)c1ncn(CC#N)n1- InChIKey
JRAQCDVKAYYHHD-UHFFFAOYSA-N- Molecular formula
- C6H6N4O2
- Average molar mass
- 166.14 g/mol
- Monoisotopic mass
- 166.04907545
Names & identifiers
- Preferred name
- methyl 1-(cyanomethyl)-1H-1,2,4-triazole-3-carboxylate
- IUPAC
- methyl 1-(cyanomethyl)-1,2,4-triazole-3-carboxylate
- English name
- 1H-1,2,4-Triazole-3-carboxylicacid,1-(cyanomethyl)-,methylester(9CI)
- Molecular formula
- C6H6N4O2
- Molecular weight
- 166.14
Names & synonyms
64074-25-5methyl 1-(cyanomethyl)-1H-1,2,4-triazole-3-carboxylatemethyl 1-(cyanomethyl)-1,2,4-triazole-3-carboxylateNSC344520SCHEMBL18764798DTXSID303193791H-1,2,4-Triazole-3-carboxylicacid,1-(cyanomethyl)-,methylester(9CI)AKOS017342006NSC-344520F512184A1-29449F8885-0164
Show more names
1H-1,2,4-Triazole-3-carboxylic acid, 1-(cyanomethyl)-, methyl ester
Database identifiers
- CAS
64074-25-5- PubChem CID
- 335408
- DTXSID
DTXSID30319379
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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