Basic information
- CAS
821783-87-3- Standard SMILES
COc1ccc(-c2cnc(NCCc3ccncc3)cn2)cc1- InChIKey
QZLRBSCJIUAURU-UHFFFAOYSA-N- Molecular formula
- C18H18N4O
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.14806121
Names & identifiers
- Preferred name
- Pyrazinamine, 5-(4-methoxyphenyl)-N-[2-(4-pyridinyl)ethyl]-
- IUPAC
- 5-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
Names & synonyms
821783-87-3Pyrazinamine, 5-(4-methoxyphenyl)-N-[2-(4-pyridinyl)ethyl]-DTXSID404692985-(4-METHOXYPHENYL)-N-[2-(PYRIDIN-4-YL)ETHYL]PYRAZIN-2-AMINE
Database identifiers
- CAS
821783-87-3- PubChem CID
- 11601950
- DTXSID
DTXSID40469298
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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