Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-
Basic information
- CAS
52199-05-0- Standard SMILES
Cn1nc(-c2ccc3c(c2)OCO3)nc2c(=O)n(C)c(=O)nc1-2- InChIKey
FEQRWFABERLIOV-UHFFFAOYSA-N- Molecular formula
- C14H11N5O4
- Average molar mass
- 313.27 g/mol
- Monoisotopic mass
- 313.08110385
Names & identifiers
- Preferred name
- Pyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Names & synonyms
52199-05-0NSC280175SCC7A7FS0BPyrimido(5,4-e)-1,2,4-triazine-5,7(1H,6H)-dione, 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-CHEMBL21511903-(Benzo[d][1,3]dioxol-5-yl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dioneNSC-2801753-(1,3-Benzodioxol-5-yl)-1,6-dimethylpyrimido(5,4-E)-1,2,4-triazine-5,7(1H,6H)-dionePyrimido[5,4-e]-1,2,4-triazine-5,7(1H,6H)-dione, 3-(1,3-benzodioxol-5-yl)-1,6-dimethyl-NSC 280175UNII-SCC7A7FS0BChemDiv2_001518
Show more names
SCHEMBL1974418DTXSID60200226HMS1373E22BDBM50392849AKOS005398722CCG-115887EU-0049825ST50876614
Database identifiers
- CAS
52199-05-0- PubChem CID
- 322479
- DTXSID
DTXSID60200226- ChEMBL
CHEMBL2151190- UNII
- SCC7A7FS0B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 670
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Compound notes
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