Basic information
- CAS
90817-87-1- Standard SMILES
Cc1c2cn[nH]c(=O)c2c(C)n1C- InChIKey
YHMCEAGPNVSJHN-UHFFFAOYSA-N- Molecular formula
- C9H11N3O
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.09021198
Names & identifiers
- Preferred name
- 5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one
- IUPAC
- 5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-one
- English name
- 5,6,7-TRIMETHYL-2,6-DIHYDRO-1H-PYRROLO[3,4-D]PYRIDAZIN-1-ONE
- Molecular formula
- C9H11N3O
- Molecular weight
- 177.2
Names & synonyms
5,6,7-trimethyl-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one5,6,7-trimethyl-1H,2H,6H-pyrrolo(3,4-d)pyridazin-1-oneRefChem:527942107-474-990817-87-15,6,7-trimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one5,6,7-trimethyl-2H-pyrrolo[3,4-d]pyridazin-1-oneMFCD08691171DTXSID30532480AKOS022225600SY170619EN300-25998
Show more names
2,6-Dihydro-5,6,7-trimethyl-1H-pyrrolo[3,4-d]pyridazin-1-one1H-Pyrrolo[3,4-d]pyridazin-1-one,2,6-dihydro-5,6,7-triMethyl-
G31850Z220354978
Database identifiers
- CAS
90817-87-1- PubChem CID
- 13257548
- DTXSID
DTXSID30532480- EC Number
- 107-474-9
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 300 °C · >300 °C(Solv: ethanol (64-17-5))
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.20(Predicted)
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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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