Basic information
- Standard SMILES
Nc1ncc(Cl)c(N2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-]- InChIKey
GBLFTLGEKACYOC-UHFFFAOYSA-N- Molecular formula
- C15H17ClN6O2
- Average molar mass
- 348.79 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-3-nitro-4-(4-(pyridin-4-ylmethyl)piperazin-1-yl)pyridin-2-amine
- IUPAC
- 5-chloro-3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridin-2-amine
Names & synonyms
SCHEMBL208548GBLFTLGEKACYOC-UHFFFAOYSA-N5-Chloro-3-nitro-4-(4-(pyridin-4-ylmethyl)piperazin-1-yl)pyridin-2-amine5-chloro-3-nitro-4-(4-pyridin-4-ylmethyl-piperazin-1-yl)-pyridin-2-ylamine
Database identifiers
- PubChem CID
- 46867129
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
4 records
Compound notes
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