1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
Basic information
- CAS
1247778-45-5- Standard SMILES
Cc1nc(Cn2cc(C(=O)O)nn2)no1- InChIKey
NFQHTAYHAXKBCN-UHFFFAOYSA-N- Molecular formula
- C7H7N5O3
- Average molar mass
- 209.16 g/mol
- Monoisotopic mass
- 209.0548891
Names & identifiers
- Preferred name
- 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
- IUPAC
- 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acid
- English name
- 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
- Molecular formula
- C7H7N5O3
- Molecular weight
- 209.16
Names & synonyms
1247778-45-51-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylic acid1-((5-methyl-1,2,4-oxadiazol-3-yl)methyl)-1H-1,2,3-triazole-4-carboxylic acidRefChem:418750887-250-11-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazole-4-carboxylic acidXZB77845AKOS011337983CS-0237369EN300-182758Z9310630241-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-1,2,3-triazole-4-carboxylicacid
Show more names
1H-1,2,3-Triazole-4-carboxylic acid, 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-
Database identifiers
- CAS
1247778-45-5- PubChem CID
- 62060422
- EC Number
- 887-250-1
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- 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
- H335-H319-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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Related reactions
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Compound notes
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