5-Methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(1h)-one
Basic information
- CAS
830338-71-1- Standard SMILES
Cc1cc(=O)n2[nH]c(-c3cccnc3)nc2n1- InChIKey
RSZCHXFOGPIDEX-UHFFFAOYSA-N- Molecular formula
- C11H9N5O
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.08070993
Names & identifiers
- Preferred name
- 5-Methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(1h)-one
- IUPAC
- 5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
- English name
- 5-Methyl-2-(3-pyridinyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one
- Molecular formula
- C11H9N5O
- Molecular weight
- 227.22
Names & synonyms
830338-71-15-methyl-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(1h)-oneSTK5888735-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one5-methyl-2-pyridin-3-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-oneMLS000531477CHEMBL1571961DTXSID60350078HMS2467B04HMS5178M11STK222252AKOS002530386
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidin-7(1H)-one, 5-methyl-2-(3-pyridinyl)-
AKOS002810656AKOS005511417AKOS030556660CCG-143603SMR000136455ST051114CS-0097117D75844
Database identifiers
- CAS
830338-71-1- PubChem CID
- 673156
- DTXSID
DTXSID60350078- ChEMBL
CHEMBL1571961
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Boiling point
- 377.3 · 377.3±34.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 3.1 · 3.10±0.12(Predicted)
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Compound notes
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