Basic information
- CAS
18591-86-1- Standard SMILES
Cc1cc(=O)c(N)n[nH]1- InChIKey
FRDSROCWJPLYFM-UHFFFAOYSA-N- Molecular formula
- C5H7N3O
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.05891186
Names & identifiers
- Preferred name
- 4-Pyridazinol, 3-amino-6-methyl-
- IUPAC
- 3-amino-6-methyl-1H-pyridazin-4-one
Names & synonyms
3-Amino-6-methyl-4-pyridazinol4-Pyridazinol, 3-amino-6-methyl-BRN 074272118591-86-1DTXSID70878793RefChem:295997DTXCID5010168253-amino-6-methylpyridazin-4-olAKOS006340296DB-3404331,4-dihydro 3-amino 4-oxo 6-methyl pyridazine
Database identifiers
- CAS
18591-86-1- PubChem CID
- 87713
- DTXSID
DTXSID70878793- Nikkaji
- J1.605.336H
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
LogP-0.85
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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