Basic information
- CAS
16977-58-5- Standard SMILES
OC(Nc1ncn[nH]1)C(Cl)(Cl)Cl- InChIKey
YHMBYQOMSDNIBL-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3N4O
- Average molar mass
- 231.46 g/mol
- Monoisotopic mass
- 229.952894
Names & identifiers
- Preferred name
- 2,2,2-Trichloro-1-(S-triazol-3-ylamino)ethanol
- IUPAC
- 2,2,2-trichloro-1-(1H-1,2,4-triazol-5-ylamino)ethanol
Names & synonyms
2,2,2-TRICHLORO-1-(S-TRIAZOL-3-YLAMINO)ETHANOL16977-58-5Ethanol, 2,2,2-trichloro-1-(s-triazol-3-ylamino)-DTXSID709376772,2,2-Trichloro-1-[(1,2-dihydro-3H-1,2,4-triazol-3-ylidene)amino]ethan-1-ol
Database identifiers
- CAS
16977-58-5- PubChem CID
- 28176
- DTXSID
DTXSID70937677- Nikkaji
- J1.567.279J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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