6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine

C12H19N5O2 — CID 80834838

IUPAC6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine
SMILESCCC1CN(c2nc(N)ccc2[N+](=O)[O-])CCN1C
InChIInChI=1S/C12H19N5O2/c1-3-9-8-16(7-6-15(9)2)12-10(17(18)19)4-5-11(13)14-12/h4-5,9H,3,6-8H2,1-2H3,(H2,13,14)
InChIKeyYGDDNUJSFDQUNB-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.10
Rot. Bonds3

About 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine

6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine (PubChem CID 80834838) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine
PubChem CID80834838
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine
SMILESCCC1CN(c2nc(N)ccc2[N+](=O)[O-])CCN1C
InChIInChI=1S/C12H19N5O2/c1-3-9-8-16(7-6-15(9)2)12-10(17(18)19)4-5-11(13)14-12/h4-5,9H,3,6-8H2,1-2H3,(H2,13,14)
InChIKeyYGDDNUJSFDQUNB-UHFFFAOYSA-N
XLogP1.10
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine (CID 80834838) is 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine is CCC1CN(c2nc(N)ccc2[N+](=O)[O-])CCN1C.
What is the InChIKey of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine?
The InChIKey is YGDDNUJSFDQUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-9-8-16(7-6-15(9)2)12-10(17(18)19)4-5-11(13)14-12/h4-5,9H,3,6-8H2,1-2H3,(H2,13,14).
What are the key properties of 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine?
6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 80834838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).