Basic information
- CAS
4956-12-1- Standard SMILES
O=c1[nH]nc(N2CCOCC2)c(=O)[nH]1- InChIKey
UTKHPCKCRAFBOP-UHFFFAOYSA-N- Molecular formula
- C7H10N4O3
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.07529019
Names & identifiers
- Preferred name
- as-Triazine-3,5(2H,4H)-dione, 6-morpholino-
- IUPAC
- 6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
- English name
- 5-N-Morpholino-6-azauracil
- Molecular formula
- C7H10N4O3
- Molecular weight
- 198.18
Names & synonyms
4956-12-1as-Triazine-3,5(2H,4H)-dione, 6-morpholino-5-Morpholyl-6-azauracil6-Morpholino-as-triazine-3,5(2H,4H)-dioneDTXSID90197837RefChem:320197DTXCID501203285-N-MORPHOLINO-6-AZAURACIL6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione6-morpholino-1,2,4-triazine-3,5(2H,4H)-dione6-(MORPHOLIN-4-YL)-1,2,4-TRIAZINE-3,5(2H,4H)-DIONE6-(4-MORPHOLINYL)-1,2,4-TRIAZINE-3,5(2H,4H)-DIONE
Show more names
6-morpholino-2H-1,2,4-triazine-3,5-quinone1,2,4-Triazine-3,5(2H,4H)-dione, 6-(4-morpholinyl)-
NSC107681ChemDiv3_000880MLS000759854CHEMBL1869406HMS1475H22HMS2749K11AKOS001053099NSC-107681
Database identifiers
- CAS
4956-12-1- PubChem CID
- 199788
- DTXSID
DTXSID90197837- ChEMBL
CHEMBL1869406
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
Solubility26.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 7.37 · 7.37±0.40(Predicted)
Chemistry & industry
Suppliers1 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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