5-(1,3-Dioxolan-2-yl)-1-methyl-1,2,4-triazole
Basic information
- CAS
169377-67-7- Standard SMILES
Cn1ncnc1C1OCCO1- InChIKey
FJWCCFAJDJGOEE-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- 5-(1,3-Dioxolan-2-yl)-1-methyl-1,2,4-triazole
- IUPAC
- 5-(1,3-dioxolan-2-yl)-1-methyl-1,2,4-triazole
- English name
- 1H-1,2,4-Triazole, 5-(1,3-dioxolan-2-yl)-1-methyl-
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
5-(1,3-dioxolan-2-yl)-1-methyl-1,2,4-triazole169377-67-7SCHEMBL8865592FJWCCFAJDJGOEE-UHFFFAOYSA-N1H-1,2,4-Triazole, 5-(1,3-dioxolan-2-yl)-1-methyl-1H-1,2,4-Triazole, 5-(1,3-dioxolan-2-yl)-1-methyl-
Database identifiers
- CAS
169377-67-7- PubChem CID
- 19974094
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
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Related reactions
6 records
Compound notes
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