1,3-Dimethyl-1,2,4-triazole
Basic information
- CAS
16778-76-0- Standard SMILES
Cc1ncn(C)n1- InChIKey
ONIFNICATWBCHW-UHFFFAOYSA-N- Molecular formula
- C4H7N3
- Average molar mass
- 97.12 g/mol
- Monoisotopic mass
- 97.06399724
Names & identifiers
- Preferred name
- 1,3-Dimethyl-1,2,4-triazole
- IUPAC
- 1,3-dimethyl-1,2,4-triazole
Names & synonyms
16778-76-01,3-dimethyl-1,2,4-triazoleDTXSID80308672RefChem:218691DTXCID002597981,3-dimethyl-1H-1,2,4-triazoleNSC207094SCHEMBL125203SCHEMBL794314SCHEMBL8448149SCHEMBL9913221NSC-207094
Show more names
DB-374635EN300-106779
Database identifiers
- CAS
16778-76-0- PubChem CID
- 307977
- DTXSID
DTXSID80308672
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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