7-(Difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
Basic information
- CAS
445025-82-1- Standard SMILES
Cc1cc(C(F)F)n2nc(C(=O)O)nc2n1- InChIKey
VIQHWADMQYGCLE-UHFFFAOYSA-N- Molecular formula
- C8H6F2N4O2
- Average molar mass
- 228.16 g/mol
Names & identifiers
- Preferred name
- 7-(Difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
- IUPAC
- 7-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
- English name
- 7-Difluoromethyl-5-methyl-[1,2,4]triazolo-[1,5-a]pyrimidine-2-carboxylic acid
- Molecular formula
- C8H6F2N4O2
- Molecular weight
- 228.16
Names & synonyms
445025-82-17-(difluoromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid7-(Difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acidMFCD020908747-Difluoromethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-(difluoromethyl)-5-methyl-C8H6F2N4O2MLS000033960BAS 07803775CHEMBL1333141SCHEMBL12985074YQF1346
Show more names
SMR000014755AKOS B000213ART-CHEM-BB B000213TIMTEC-BB SBB006974[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-(dif7-Difluoromethyl-5-methyl-[1,2,4]triazolo-[1,5-a]pyrimidine-2-carboxylic acid
HMS2369A21ALBB-010015SBB006974STK348659AKOS000304125AT12351CCG-120737SB85559
Database identifiers
- CAS
445025-82-1- PubChem CID
- 603501
- ChEMBL
CHEMBL1333141- EC Number
- 673-157-1
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Density
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- -4.91 · -4.91±0.41(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310+P330-P405-P501
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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 CategoriesSkin Corr. 1B (100%)
Safety data
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310+P330-P405-P501
Related reactions
1 records
Compound notes
Loading…