Basic information
- CAS
3210-44-4- Standard SMILES
Cc1cc(C)n2nnnc2n1- InChIKey
PVVGAZYPSGZTKH-UHFFFAOYSA-N- Molecular formula
- C6H7N5
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.07014524
Names & identifiers
- Preferred name
- 5,7-Dimethyltetrazolo(1,5-a)pyrimidine
- IUPAC
- 5,7-dimethyltetrazolo[1,5-a]pyrimidine
Names & synonyms
5,7-Dimethyltetrazolo[1,5-a]pyrimidine3210-44-4DTXSID10281646Tetrazolo[1,5-a]pyrimidine, 5,7-dimethyl-5,7-Dimethyltetrazolo(1,5-a)pyrimidineTetrazolo(1,5-a)pyrimidine, 5,7-dimethyl-RefChem:298892DTXCID60232800PVVGAZYPSGZTKH-UHFFFAOYSA-N5,7-dimethyl-[1,2,3,4]tetrazolo[1,5-a]pyrimidineNSC22354MLS001029813
Show more names
CHEMBL1522787HMS2803F09NSC-22354STK202624AKOS002286284SMR000427684ST0282625,7-Dimethyl-tetrazolo[1,5-a]pyrimidine
Database identifiers
- CAS
3210-44-4- PubChem CID
- 229014
- DTXSID
DTXSID10281646- ChEMBL
CHEMBL1522787- EC Number
- 688-672-7
- Nikkaji
- J1.302.699H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
Solubility9.6 [ug/mL] (The mean of the results at pH 7.4)
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
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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