Basic information
- Standard SMILES
O=[N+]([O-])N=C1NCCCN1Cc1ccc(Cl)nc1- InChIKey
XZODFQRTNMIPJZ-UHFFFAOYSA-N- Molecular formula
- C10H12ClN5O2
- Average molar mass
- 269.69 g/mol
- Monoisotopic mass
- 269.0679523
Names & identifiers
- Preferred name
- 1-(2-Chloro-5-pyridylmethyl)-2-(nitroimino)tetrahydropyrimidine
- IUPAC
- N-[1-[(6-chloro-3-pyridinyl)methyl]-1,3-diazinan-2-ylidene]nitramide
Names & synonyms
SCHEMBL7638837XZODFQRTNMIPJZ-UHFFFAOYSA-N1-(2-chloro-5-pyridylmethyl)-2-(nitroimino)tetrahydropyrimidine
Database identifiers
- PubChem CID
- 136342789
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 333
Related reactions
12 records
Compound notes
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