Basic information
- CAS
86979-31-9- Standard SMILES
Cc1nnnn1CO- InChIKey
OLCOABHSTKGCFK-UHFFFAOYSA-N- Molecular formula
- C3H6N4O
- Average molar mass
- 114.11 g/mol
- Monoisotopic mass
- 114.05416083
Names & identifiers
- Preferred name
- (5-Methyl-1H-tetrazol-1-yl)methanol
- IUPAC
- (5-methyltetrazol-1-yl)methanol
Names & synonyms
(5-Methyl-1H-tetrazol-1-yl)methanol86979-31-9OLCOABHSTKGCFK-UHFFFAOYSA-DTXSID30517575InChI=1/C3H6N4O/c1-3-4-5-6-7(3)2-8/h8H,2H2,1H3
Database identifiers
- CAS
86979-31-9- PubChem CID
- 13080997
- DTXSID
DTXSID30517575
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 77.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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