Triazolopyrimidine
Basic information
- CAS
273-39-2- Standard SMILES
c1ncc2n[nH]nc2n1- InChIKey
GIIGHSIIKVOWKZ-UHFFFAOYSA-N- Molecular formula
- C4H3N5
- Average molar mass
- 121.1 g/mol
Names & identifiers
- Preferred name
- Triazolopyrimidine
- IUPAC
- 2H-triazolo[4,5-d]pyrimidine
- English name
- 2H-1,2,3-Triazolo[4,5-d]pyrimidine (9CI)
- Molecular formula
- C4H3N5
- Molecular weight
- 121.1
Names & synonyms
TRIAZOLOPYRIMIDINE1h-[1,2,3]triazolo[4,5-d]pyrimidine99331-25-61H-(1,2,3)triazolo(4,5-d)pyrimidine7-(3-bromophenyl)-5-((pyridin-4-ylmethyl)amino)-3H-4??-(1,2,4)triazolo(1,5-a)pyrimidin-4-ylium7-(3-bromophenyl)-5-[(pyridin-4-ylmethyl)amino]-3H-4??-[1,2,4]triazolo[1,5-a]pyrimidin-4-yliumRefChem:899067949-890-08-Azapurine273-40-52H-triazolo[4,5-d]pyrimidine179268-21-4
Show more names
2H-1,2,3-Triazolo[4,5-d]pyrimidine (9CI)
3H-1,2,3-Triazolo[4,5-d]pyrimidine3H-[1,2,3]triazolo[4,5-d]pyrimidine179268-22-5273-39-22H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINEH49B4KW3PH179192-35-91H-1,2,3-Triazolo(4,5-d)pyrimidine
Database identifiers
- CAS
273-39-2- UNII
- H49B4KW3PH
- EC Number
- 949-890-0
- Nikkaji
- J247.716E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- FDA UNII
- 49 B4KW3PH · H49B4KW3PH
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, P317, 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%)
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Compound notes
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