3-benzyl-N-[(2-methoxyphenyl)methyl]-5-methyltriazolo[4,5-d]pyrimidin-7-amine
Basic information
- CAS
606108-31-0- Standard SMILES
COc1ccccc1CNc1nc(C)nc2c1nnn2Cc1ccccc1- InChIKey
DEGVIVWDVKUNNP-UHFFFAOYSA-N- Molecular formula
- C20H20N6O
- Average molar mass
- 360.4 g/mol
Names & identifiers
- Preferred name
- 3-benzyl-N-[(2-methoxyphenyl)methyl]-5-methyltriazolo[4,5-d]pyrimidin-7-amine
- IUPAC
- 3-benzyl-N-[(2-methoxyphenyl)methyl]-5-methyltriazolo[4,5-d]pyrimidin-7-amine
- English name
- 3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, N-[(2-methoxyphenyl)methyl]-5-methyl-3-(phenylmethyl)- (9CI)
- Molecular formula
- C20H20N6O
- Molecular weight
- 360.41
Names & synonyms
606108-31-0SR-01000344242SR-01000344242-13H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, N-[(2-methoxyphenyl)methyl]-5-methyl-3-(phenylmethyl)-3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, N-[(2-methoxyphenyl)methyl]-5-methyl-3-(phenylmethyl)- (9CI)
Database identifiers
- CAS
606108-31-0
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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