Basic information
- CAS
91115-01-4- Standard SMILES
Clc1ncnc2c1N=CNN2- InChIKey
GGKFADMOQZGHCS-UHFFFAOYSA-N- Molecular formula
- C5H4ClN5
- Average molar mass
- 169.57 g/mol
- Monoisotopic mass
- 169.0155228
Names & identifiers
- Preferred name
- 5-Chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
- IUPAC
- 5-chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
- English name
- 5-Chloro-1,4-dihydropyrimido[5,4-e][1,2,4]triazine
- Molecular formula
- C5H4ClN5
- Molecular weight
- 169.57
Names & synonyms
91115-01-45-Chloro-1,4-dihydropyrimido[5,4-e][1,2,4]triazine5-chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazineMFCD31813888NSC4074125-chloro-1H,4H-pyrimido[5,4-e][1,2,4]triazineSCHEMBL5925636DTXSID80324655GGKFADMOQZGHCS-UHFFFAOYSA-NNSC-407412SY029893CS-0089542
Show more names
Pyrimido[5,4-e]-1,2,4-triazine, 5-chloro-1,2-dihydro-5-Chloro-1,4-dihydropyrimidino [5,4-E] [1,2,4] triazine
G69646F615815
Database identifiers
- CAS
91115-01-4- PubChem CID
- 348229
- DTXSID
DTXSID80324655- Nikkaji
- J2.832.977F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 351.9 · 351.9±52.0 °C(Predicted)
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C, · -20°C, sealed storage, away from moisture
- pka
- 2.71 · 2.71±0.20(Predicted)
- Appearance
- Light brown to brown Solid
Chemistry & industry
Suppliers7 total
韶远科技(上海)有限公司4000665055 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
浙江皓格药业有限公司0573-88133976-8014 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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