HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 28811187Generated: November 2, 2026
5-methyl-1-(quinolin-5-yl)-1H-1,2,3-triazole-4-carboxylic acid
1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(5-quinolinyl)-
https://huagongshe.com/en/chemical/28811187
Identifiers & Physical Properties
| CAS No. | 1049129-19-2 |
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| Molecular formula | C13H10N4O2 |
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| Average molar mass | 254.24 g/mol |
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| Monoisotopic mass | 254.08037557 g/mol |
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| SMILES | Cc1c(C(=O)O)nnn1-c1cccc2ncccc12 |
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| InChIKey | NNNPILZCTONAAQ-UHFFFAOYSA-N |
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| PubChem CID | 28811187 |
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| EC No. | 983-288-9 |
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Chemical & Physical Properties
| XLogP | 1.9 |
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| Topological polar surface area | 80.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 19 |
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| Formal charge | 0 |
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| Complexity | 352 |
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| Boiling point | 542.1±58.0 °C(Predicted) |
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| Density | 1.45±0.1 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 3.08±0.50(Predicted) |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| GHS classification | WarningH302 (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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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