5-nitro-6-piperazin-1-ylpyridin-2-amine

C9H13N5O2 — CID 80837104

IUPAC5-nitro-6-piperazin-1-ylpyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(N2CCNCC2)n1
InChIInChI=1S/C9H13N5O2/c10-8-2-1-7(14(15)16)9(12-8)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H2,10,12)
InChIKeyJBBRSFNWFBODPK-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.02
Rot. Bonds2

About 5-nitro-6-piperazin-1-ylpyridin-2-amine

5-nitro-6-piperazin-1-ylpyridin-2-amine (PubChem CID 80837104) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 5-nitro-6-piperazin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-piperazin-1-ylpyridin-2-amine
PubChem CID80837104
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name5-nitro-6-piperazin-1-ylpyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(N2CCNCC2)n1
InChIInChI=1S/C9H13N5O2/c10-8-2-1-7(14(15)16)9(12-8)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H2,10,12)
InChIKeyJBBRSFNWFBODPK-UHFFFAOYSA-N
XLogP-0.02
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
ethyl 4-(6-amino-3-nitro-2-pyridinyl)piperazine-1-carboxylate
CID 12919353
6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
CID 80763904
6-(3,3-diethylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80855316
6-(2-methylmorpholin-4-yl)-5-nitropyridin-2-amine
CID 80764724
6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine
CID 80834838
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine
CID 80775290
1-(6-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 79021358
8-(6-amino-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80845453
6-nitro-2,3-di(piperazin-1-yl)quinoxaline
CID 5009613
6-(3-methylsulfonylthiomorpholin-4-yl)-5-nitropyridin-2-amine
CID 80850394
5-nitro-6-(5-oxo-1,4-diazepan-1-yl)pyridine-2-carboxylic acid
CID 114404077

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-piperazin-1-ylpyridin-2-amine?
The IUPAC name of 5-nitro-6-piperazin-1-ylpyridin-2-amine (CID 80837104) is 5-nitro-6-piperazin-1-ylpyridin-2-amine.
What is the SMILES notation for 5-nitro-6-piperazin-1-ylpyridin-2-amine?
The canonical SMILES for 5-nitro-6-piperazin-1-ylpyridin-2-amine is Nc1ccc([N+](=O)[O-])c(N2CCNCC2)n1.
What is the InChIKey of 5-nitro-6-piperazin-1-ylpyridin-2-amine?
The InChIKey is JBBRSFNWFBODPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-8-2-1-7(14(15)16)9(12-8)13-5-3-11-4-6-13/h1-2,11H,3-6H2,(H2,10,12).
What are the key properties of 5-nitro-6-piperazin-1-ylpyridin-2-amine?
5-nitro-6-piperazin-1-ylpyridin-2-amine has a molecular weight of 223.24 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-piperazin-1-ylpyridin-2-amine is sourced from PubChem (CID 80837104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).