1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
Basic information
- CAS
40995-46-8- Standard SMILES
Cn1ncc2c(=O)[nH]ncc21- InChIKey
KYHNYDPMLWCPCR-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-one
- IUPAC
- 1-methyl-5H-pyrazolo[4,5-d]pyridazin-4-one
- English name
- 1-Methyl-1H-pyrazolo[4.3-d]pyridazin-4(5H)-one
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.14
Names & synonyms
40995-46-81-methyl-1H,4H,5H-pyrazolo[3,4-d]pyridazin-4-one1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyridazin-4-oneRefChem:433756867-235-61-Methyl-1H-pyrazolo[3,4-d]pyridazin-4(5H)-one1-methyl-5H-pyrazolo[3,4-d]pyridazin-4-one1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one1-Methyl-1H-pyrazolo[4.3-d]pyridazin-4(5H)-oneSCHEMBL13787655SCHEMBL20674467SCHEMBL31447617
Show more names
4H-Pyrazolo[3,4-d]pyridazin-4-one, 1,5-dihydro-1-methyl-
QBA99546MFCD04971421AKOS027441729SY475197EN300-104208AP-786/42300028Z1255383704
Database identifiers
- CAS
40995-46-8- PubChem CID
- 6401375
- EC Number
- 867-235-6
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 244 · 244-245 °C(Solv: ethanol (64-17-5))
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H335-H315-H302-H312-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
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, P317, 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
- H332-H335-H315-H302-H312-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312
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Related reactions
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Compound notes
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