6-Ethyl-4-(2-hydroxyethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Basic information
- CAS
501655-67-0- Standard SMILES
CCn1c(=O)c2nn[nH]c2n(CCO)c1=O- InChIKey
LBKXGSNTJKPKJJ-UHFFFAOYSA-N- Molecular formula
- C8H11N5O3
- Average molar mass
- 225.2 g/mol
Names & identifiers
- Preferred name
- 6-Ethyl-4-(2-hydroxyethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
- IUPAC
- 6-ethyl-4-(2-hydroxyethyl)-2H-triazolo[4,5-d]pyrimidine-5,7-dione
- English name
- 1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione,6-ethyl-4-(2-hydroxyethyl)-(9CI)
- Molecular formula
- C8H11N5O3
- Molecular weight
- 225.2
Names & synonyms
501655-67-06-Ethyl-4-(2-hydroxyethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dioneNSC327162NSC-3271623H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 6-ethyl-4-(2-hydroxyethyl)-1H-1,2,3-Triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione,6-ethyl-4-(2-hydroxyethyl)-(9CI)
Database identifiers
- CAS
501655-67-0
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
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Compound notes
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