Basic information
- CAS
117740-57-5- Standard SMILES
CCCn1c(=O)c2c(nnn2CCN(CC)CC)n(-c2ccccc2)c1=O- InChIKey
VVQFAKMRVYKCRD-UHFFFAOYSA-N- Molecular formula
- C19H26N6O2
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.21172409
Names & identifiers
- Preferred name
- 1H-1,2,3-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 1-(2-(diethylamino)ethyl)-4-phenyl-6-propyl-
- IUPAC
- 1-[2-(diethylamino)ethyl]-4-phenyl-6-propyltriazolo[4,5-d]pyrimidine-5,7-dione
Names & synonyms
MX82571H-1,2,3-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 1-(2-(diethylamino)ethyl)-4-phenyl-6-propyl-117740-57-5DTXSID90151898RefChem:236939DTXCID1074389SCHEMBL98343971-[2-(Diethylamino)ethyl]-4-phenyl-6-propyl-1H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
Database identifiers
- CAS
117740-57-5- PubChem CID
- 3088366
- DTXSID
DTXSID90151898
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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