2-(7-Hydroxy-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)acetic acid
Basic information
- CAS
99951-00-5- Standard SMILES
Cc1cc(=O)n2[nH]c(CC(=O)O)nc2n1- InChIKey
CGAFFDYYFREHLJ-UHFFFAOYSA-N- Molecular formula
- C8H8N4O3
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.05964013
Names & identifiers
- Preferred name
- 2-(7-Hydroxy-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)acetic acid
- IUPAC
- 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
- English name
- (7-Hydroxy-5-methyl-[1,2,4]triazolo-[1,5-a]pyrimidin-2-yl)-acetic acid
- Molecular formula
- C8H8N4O3
- Molecular weight
- 208.17
Names & synonyms
2-(7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid2-{7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid2-(7-Hydroxy-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)acetic acidRefChem:459335971-517-599951-00-5212248-00-5(7-Hydroxy-5-methyl-[1,2,4]triazolo-[1,5-a]pyrimidin-2-yl)-acetic acid2-(5-Methyl-7-oxo-3,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
Show more names
CHEMBRDG-BB 55670632-carboxymethyl-7-hydroxy-5-methyl-s-triazolo [1,5-a]pyrimidine[1,2,4]Triazolo[1,5-a]pyrimidine-2-acetic acid, 7-hydroxy-5-methyl-
SBB0279532-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid2-(5-Methyl-7-oxo-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid2-(5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acidMFCD03284798ChemDiv1_008965SCHEMBL9679602HMS612H11
Database identifiers
- CAS
99951-00-5- PubChem CID
- 706640
- DTXSID
DTXSID30351673- EC Number
- 971-517-5
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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