1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine

C10H14N4O2 — CID 65189039

IUPAC1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc([N+](=O)[O-])nc1)C1CC1
InChIInChI=1S/C10H14N4O2/c11-5-9(7-1-2-7)13-8-3-4-10(12-6-8)14(15)16/h3-4,6-7,9,13H,1-2,5,11H2
InChIKeyOVKIUIXBUNUWQG-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.14
Rot. Bonds5

About 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine

1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine (PubChem CID 65189039) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine
PubChem CID65189039
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc([N+](=O)[O-])nc1)C1CC1
InChIInChI=1S/C10H14N4O2/c11-5-9(7-1-2-7)13-8-3-4-10(12-6-8)14(15)16/h3-4,6-7,9,13H,1-2,5,11H2
InChIKeyOVKIUIXBUNUWQG-UHFFFAOYSA-N
XLogP1.14
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine (CID 65189039) is 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine is NCC(Nc1ccc([N+](=O)[O-])nc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is OVKIUIXBUNUWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-5-9(7-1-2-7)13-8-3-4-10(12-6-8)14(15)16/h3-4,6-7,9,13H,1-2,5,11H2.
What are the key properties of 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine?
1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 65189039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).