Basic information
- Standard SMILES
O=C(c1ccc(Nc2ncc([N+](=O)[O-])cn2)cn1)N1CCN(CCO)CC1- InChIKey
BQTJTKYDRHSYJX-UHFFFAOYSA-N- Molecular formula
- C16H19N7O4
- Average molar mass
- 373.37 g/mol
Names & identifiers
- Preferred name
- [4-(2-Hydroxy-ethyl)-piperazin-1-yl]-[5-(5-nitro-pyrimidin-2-ylamino)-Pyridin-2-yl]methanone
- IUPAC
- [4-(2-hydroxyethyl)piperazin-1-yl]-[5-[(5-nitropyrimidin-2-yl)amino]-2-pyridinyl]methanone
Names & synonyms
SCHEMBL2492560BQTJTKYDRHSYJX-UHFFFAOYSA-N[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-[5-(5-nitro-pyrimidin-2-ylamino)-Pyridin-2-yl]methanone[4-(2-Hydroxy-Ethyl)-Piperazin-1-yl]-[5-(5-Nitro-Pyrimidine-2-ylamino)-Pyridin-2yl]-Methanone
Database identifiers
- PubChem CID
- 58748708
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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