Basic information
- CAS
39573-72-3- Standard SMILES
c1ccc(-c2ccnc3ncnn23)cc1- InChIKey
NJZKWMXLDGCTGY-UHFFFAOYSA-N- Molecular formula
- C11H8N4
- Average molar mass
- 196.21 g/mol
- Monoisotopic mass
- 196.07489627
Names & identifiers
- Preferred name
- 7-Phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
- IUPAC
- 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 7-Phenyl[1,2,4]triazolo[1,5-a]pyrimidine
- Molecular formula
- C11H8N4
- Molecular weight
- 196.21
Names & synonyms
7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine39573-72-37-phenyl[1,2,4]triazolo[1,5-a]pyrimidineMFCD00138766SCHEMBL11476738DTXSID30358501NJZKWMXLDGCTGY-UHFFFAOYSA-NAKOS0031459387-Phenyl-1,2,4-triazolo[1,5-a]pyrimidineCS-02711681D-1337-phenyl-8H-[1,2,4]triazolo[1,5-a]pyrimidine
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidine, 7-phenyl-
AI-031/43090791SR-00000002441SR-00000002441-1
Database identifiers
- CAS
39573-72-3- PubChem CID
- 900930
- DTXSID
DTXSID30358501- Nikkaji
- J3.268.705I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 140 °C · 140 °C(Solv: ligroine (8032-32-4))
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 0.56 · 0.56±0.30(Predicted)
Chemistry & industry
Suppliers2 total
上海任跃化学科技有限公司021-62219190; 18321139117 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
1 records
Compound notes
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