5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine
Basic information
- CAS
7681-99-4- Standard SMILES
Cc1cc(C)n2ncnc2n1- InChIKey
WXVQCFALDUVKSC-UHFFFAOYSA-N- Molecular formula
- C7H8N4
- Average molar mass
- 148.17 g/mol
- Monoisotopic mass
- 148.07489627
Names & identifiers
- Preferred name
- 5,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidine
- IUPAC
- 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
- English name
- 5,7-Dimethyl-1,3,4-triazaindolizine
- Molecular formula
- C7H8N4
- Molecular weight
- 148.17
Names & synonyms
7681-99-45,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine5,7-Dimethyl-(1,2,4)triazolo(1,5-a)pyrimidineDTXSID40227633(1,2,4)Triazolo(1,5-a)pyrimidine, 5,7-dimethyl-[1,2,4]Triazolo[1,5-a]pyrimidine, 5,7-dimethyl-AR-12-1605,7-Dimethyl(1,2,4)triazolo(1,5-a)pyrimidineRefChem:528268DTXCID90150124621-061-5
Show more names
AR-12160AKOS B0227895-a)pyrimidine,5,7-dimethyl-s-triazolo(1,2,4Triazolo1,5-apyrimidine, 5,7-dimethyl-
5,7-Dimethyl-1,3,4-triazaindolizineAR 121605,7-Dimethyl-s-Triazolo[1,5-a]pyrimidineMFCD000055565,7-Dimethyl-s-triazolo(1,5-a)pyrimidines-TRIAZOLO(1,5-a)PYRIMIDINE, 5,7-DIMETHYL-s-Triazolo[1,5-a]pyrimidine, 5,7-dimethyl-NSC 91495
Database identifiers
- CAS
7681-99-4- PubChem CID
- 24356
- DTXSID
DTXSID40227633- ChEMBL
CHEMBL1505785- EC Number
- 621-061-5
- Nikkaji
- J15.011H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Melting point
- 136 · 136-139 °C(lit.)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 1.67 · 1.67±0.30(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H317-H335-H301
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38-43
- Safety Statements
- 36 · 36/37/39
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 5750000 · XZ5750000
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 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1,2,4Triazolo1,5-apyrimidine, 5,7-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAcute Tox. 3 (95.1%)
Safety data
- wgk
- 3
- rtecs
- XZ5750000
- ridadr
- UN 2811 6.1/PG 3
- risk_code
- 22-36/37/38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 36/37/39
- Hazard statements
- H315-H319-H317-H335-H301
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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