Basic information
- Standard SMILES
Nc1ncnc2cc(CN3CCNCC3=O)ccc12- InChIKey
PNRTXGXLSDZDTN-UHFFFAOYSA-N- Molecular formula
- C13H15N5O
- Average molar mass
- 257.29 g/mol
- Monoisotopic mass
- 257.12766012
Names & identifiers
- Preferred name
- 1-(4-Aminoquinazoline-7-ylmethyl)piperazine-2-one
- IUPAC
- 1-[(4-aminoquinazolin-7-yl)methyl]piperazin-2-one
Names & synonyms
SCHEMBL1651553PNRTXGXLSDZDTN-UHFFFAOYSA-N1-(4-amino-quinazolin-7-ylmethyl)-piperazin-2-one1-(4-aminoquinazoline-7-ylmethyl)piperazine-2-one
Database identifiers
- PubChem CID
- 17985174
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
14 records
Compound notes
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