Basic information
- CAS
1105196-46-0- Standard SMILES
CC(C)c1n[nH]c(=O)c2c1cnn2C(C)(C)C- InChIKey
LVDANKIJRLFMIV-UHFFFAOYSA-N- Molecular formula
- C12H18N4O
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.14806121
Names & identifiers
- Preferred name
- 1-tert-butyl-4-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
- IUPAC
- 1-tert-butyl-4-propan-2-yl-6H-pyrazolo[4,5-d]pyridazin-7-one
- English name
- 1-tert-butyl-4-isopropyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
- Molecular formula
- C12H18N4O
- Molecular weight
- 234.3
Names & synonyms
1105196-46-01-tert-Butyl-4-(propan-2-yl)-1h,6h,7h-pyrazolo[3,4-d]pyridazin-7-one1-tert-butyl-4-(propan-2-yl)-1H,6H,7H-pyrazolo(3,4-d)pyridazin-7-oneRefChem:436746826-303-51-tert-butyl-4-isopropyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one1-(tert-butyl)-4-isopropyl-1,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-oneF2135-08131-tert-butyl-4-propan-2-yl-6H-pyrazolo[3,4-d]pyridazin-7-oneSCHEMBL231221461-tert-butyl-4-isopropyl-6H-pyrazolo[3,4-d]pyridazin-7-oneSMSSF-0017281
Show more names
7H-Pyrazolo[3,4-d]pyridazin-7-one, 1-(1,1-dimethylethyl)-1,6-dihydro-4-(1-methylethyl)-
FUB19646AKOS005207399VU0494705-1EN300-239454G24710F520945Z22353053651-tert-butyl-4-isopropyl-1,2,5,6-tetraaza-1,6-dihydro-7H-inden-7-one
Database identifiers
- CAS
1105196-46-0- PubChem CID
- 33677366
- EC Number
- 826-303-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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