2-[3-(2-Methyl-[1,3]dioxolan-2-yl)-isoxazol-5-ylmethyl]-2H-[1,2,3]triazol-4-ylamine
Basic information
- Standard SMILES
CC1(c2cc(Cn3ncc(N)n3)on2)OCCO1- InChIKey
WZGYEZOEGQSCPF-UHFFFAOYSA-N- Molecular formula
- C10H13N5O3
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.10183929
Names & identifiers
- Preferred name
- 2-[3-(2-Methyl-[1,3]dioxolan-2-yl)-isoxazol-5-ylmethyl]-2H-[1,2,3]triazol-4-ylamine
- IUPAC
- 2-[[3-(2-methyl-1,3-dioxolan-2-yl)-1,2-oxazol-5-yl]methyl]triazol-4-amine
Names & synonyms
SCHEMBL2331065WZGYEZOEGQSCPF-UHFFFAOYSA-N2-[3-(2-Methyl-[1,3]dioxolan-2-yl)-isoxazol-5-ylmethyl]-2H-[1,2,3]triazol-4-ylamine
Database identifiers
- PubChem CID
- 67366456
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 299
Related reactions
3 records
Compound notes
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