Basic information
- CAS
18591-70-3- Standard SMILES
Cc1cc(=O)c2nncn2[nH]1- InChIKey
PQKCWHQSKRXSPN-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 6-methyl-5H,8H-(1,2,4)triazolo(4,3-b)pyridazin-8-one
- IUPAC
- 6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one
- English name
- 6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
89418-15-56-methyl-5H,8H-[1,2,4]triazolo[4,3-b]pyridazin-8-one6-methyl-5H,8H-(1,2,4)triazolo(4,3-b)pyridazin-8-oneRefChem:543944862-194-018591-70-36-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-ol6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-oneMFCD001267026-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8(5H)-oneF3379-0347
Show more names
1029424-triazolo(4,3-b)pyridazin-8-ol,6-methyl-2
BRN 05144708-Hydroxy-6-methyl-s-triazolo[4,3-b]pyridazine6-Methyl-1,2,4-triazolo(4,3-b)pyridazin-8-ol1,2,4-Triazolo(4,3-b)pyridazin-8-ol, 6-methyl-Maybridge1_0049291,2,4-Triazolo[4,3-b]pyridazin-8-ol,6-methyl-SCHEMBL28678095HMS555I01
Database identifiers
- CAS
18591-70-3、89418-15-5- PubChem CID
- 87709
- DTXSID
DTXSID10892413- EC Number
- 862-194-0
- Nikkaji
- J415.526B
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
LogP-0.21
Physicochemical properties
- Melting point
- 306 °C · 306 °C
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 1.82 · 1.82±0.30(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses6-Methyl-1,2,4-triazolo[4,3-b]pyridazin-8-ol is a useful research chemical compound used in the synthesis of substituted (triazolo)pyridazinamine derivatives as tankyrase inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
无锡金洛里医药科技有限公司18021193238 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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