4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one

C9H12N6O3 — CID 106198856

IUPAC4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESNNc1ccc([N+](=O)[O-])c(NC2CNC(=O)C2)n1
InChIInChI=1S/C9H12N6O3/c10-14-7-2-1-6(15(17)18)9(13-7)12-5-3-8(16)11-4-5/h1-2,5H,3-4,10H2,(H,11,16)(H2,12,13,14)
InChIKeyGPZPWBCFURATMI-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.42
Rot. Bonds4

About 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one

4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 106198856) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one
PubChem CID106198856
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESNNc1ccc([N+](=O)[O-])c(NC2CNC(=O)C2)n1
InChIInChI=1S/C9H12N6O3/c10-14-7-2-1-6(15(17)18)9(13-7)12-5-3-8(16)11-4-5/h1-2,5H,3-4,10H2,(H,11,16)(H2,12,13,14)
InChIKeyGPZPWBCFURATMI-UHFFFAOYSA-N
XLogP-0.42
TPSA135.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
CID 80834232
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114542334
5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 80915009
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine
CID 114122174
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
4-[(2-hydrazinylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198877
4-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 114157150
4-[(6-chloro-5-nitropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192268
4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one
CID 107143708
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one (CID 106198856) is 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one is NNc1ccc([N+](=O)[O-])c(NC2CNC(=O)C2)n1.
What is the InChIKey of 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is GPZPWBCFURATMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c10-14-7-2-1-6(15(17)18)9(13-7)12-5-3-8(16)11-4-5/h1-2,5H,3-4,10H2,(H,11,16)(H2,12,13,14).
What are the key properties of 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 252.23 g/mol, XLogP of -0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106198856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).