Basic information
- CAS
114833-91-9- Standard SMILES
c1cnn(-c2cc(-n3cccn3)ncn2)c1- InChIKey
ITORZLJASZQARK-UHFFFAOYSA-N- Molecular formula
- C10H8N6
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.08104428
Names & identifiers
- Preferred name
- Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
- IUPAC
- 4,6-di(pyrazol-1-yl)pyrimidine
Names & synonyms
114833-91-9Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-DTXSID40150876RefChem:1097520DTXCID10733674,6-Bis(1H-pyrazol-1-yl)pyrimidine4,6-Di(1H-pyrazol-1-yl)pyrimidine4,6-Di-1H-pyrazol-1-ylpyrimidineSCHEMBL9521570CHEMBL4574125IO-21AKOS025158414
Database identifiers
- CAS
114833-91-9- PubChem CID
- 3087487
- DTXSID
DTXSID40150876- ChEMBL
CHEMBL4574125- Nikkaji
- J819.364I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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