1H-tetrazole, 1-(1,1-dimethylethyl)-
Basic information
- CAS
110840-25-0- Standard SMILES
CC(C)(C)n1cnnn1- InChIKey
LIPNKVIYXXBICY-UHFFFAOYSA-N- Molecular formula
- C5H10N4
- Average molar mass
- 126.16 g/mol
- Monoisotopic mass
- 126.09054634
Names & identifiers
- Preferred name
- 1H-tetrazole, 1-(1,1-dimethylethyl)-
- IUPAC
- 1-tert-butyltetrazole
Names & synonyms
1-tert-butyl-1H-tetrazole1H-tetrazole, 1-(1,1-dimethylethyl)-110840-25-01-t-butyltetrazoleSCHEMBL761264SCHEMBL1976567DTXSID20348991InChI=1/C5H10N4/c1-5(2,3)9-4-6-7-8-9/h4H,1-3H
Database identifiers
- CAS
110840-25-0- PubChem CID
- 642209
- DTXSID
DTXSID20348991- Nikkaji
- J467.693I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…