Basic information
- CAS
438031-05-1- Standard SMILES
Cc1ccnc2nc(C(=O)O)nn12- InChIKey
HIMHCANUPPOVPH-UHFFFAOYSA-N- Molecular formula
- C7H6N4O2
- Average molar mass
- 178.15 g/mol
- Monoisotopic mass
- 178.04907545
Names & identifiers
- Preferred name
- 7-Methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
- IUPAC
- 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
- English name
- 7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
- Molecular formula
- C7H6N4O2
- Molecular weight
- 178.15
Names & synonyms
7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid438031-05-17-methyl-(1,2,4)triazolo(1,5-a)pyrimidine-2-carboxylic acidRefChem:546745873-459-5MFCD034783607-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acidSCHEMBL10463585NSA03105AKOS015868279CS-0218418EN300-00903
Show more names
[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-methyl-
G25966Z568371157-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylicacid
Database identifiers
- CAS
438031-05-1- PubChem CID
- 3697061
- EC Number
- 873-459-5
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 1.59 · 1.59±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- H302-H319-H335-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
Bio-Vin Research Laboratories[email protected]
HDH Pharma, Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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