2-{5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid
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Basic information
- CAS
256348-41-1- Standard SMILES
Cc1cc(C)n2nc(CC(=O)O)nc2n1- InChIKey
PFEYZNRDVANGLJ-UHFFFAOYSA-N- Molecular formula
- C9H10N4O2
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.08037557
Names & identifiers
- Preferred name
- 2-{5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid
- IUPAC
- 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
- English name
- (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid(SALTDATA: FREE)
- Molecular formula
- C9H10N4O2
- Molecular weight
- 206.2
Names & synonyms
256348-41-12-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid2-{5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid2-(5,7-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)acetic acidRefChem:458447830-950-9(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-acetic acidMFCD00708189MLS000715443CHEMBL1874099HMS2731H14
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidine-2-acetic acid, 5,7-dimethyl-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid(SALTDATA: FREE)
GKA34841(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acidCCG-34256STK506764AKOS000301545SMR000275422SY173415VS-02207
Database identifiers
- CAS
256348-41-1- PubChem CID
- 774409
- ChEMBL
CHEMBL1874099- EC Number
- 830-950-9
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
Solubility>30.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 1.07 · 1.07±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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