Basic information
- CAS
883550-13-8- Standard SMILES
Cc1nc2nc(C)c(CCC(=O)O)c(=O)n2[nH]1- InChIKey
LMFJKBXQEDYGOZ-UHFFFAOYSA-N- Molecular formula
- C10H12N4O3
- Average molar mass
- 236.23 g/mol
- Monoisotopic mass
- 236.09094026
Names & identifiers
- Preferred name
- 3-{2,5-dimethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid
- IUPAC
- 3-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
- English name
- 3-(2,5-Dimethyl-7-oxo-4,7-dihydro-[1,2,4]-triazolo[1,5-a]pyrimidin-6-yl)-propionic acid
- Molecular formula
- C10H12N4O3
- Molecular weight
- 236.23
Names & synonyms
3-{2,5-dimethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid3-(2,5-dimethyl-7-oxo-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-6-yl)propanoic acidRefChem:490132894-382-3883550-13-83-(2,5-Dimethyl-7-oxo-4,7-dihydro-[1,2,4]-triazolo[1,5-a]pyrimidin-6-yl)-propionic acid3-(2,5-dimethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid3-(2,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid3-(2,5-dimethyl-7-oxo-3,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid3-(2,5-Dimethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)- propanoic acidMFCD080595853-(2,5-DIMETHYL-7-OXO-3,7-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)- PROPANOIC ACID
Show more names
ASINEX-REAG BAS 137748393-(2,5-Dimethyl-7-oxo-4,7-dihydro-[1,2,4]-triazolo[1,5-a]pyrimidin-6-yl)-propioni[1,2,4]Triazolo[1,5-a]pyrimidine-6-propanoic acid, 1,7-dihydro-2,5-dimethyl-7-oxo-3-(2,5-Dimethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-propanoic acid
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 490
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)
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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