2-(2-methyl-5-nitroimidazol-1-yl)ethanamine

C6H10N4O2 — CID 2724233

IUPAC2-(2-methyl-5-nitroimidazol-1-yl)ethanamine
SMILESCc1ncc([N+](=O)[O-])n1CCN
InChIInChI=1S/C6H10N4O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3,7H2,1H3
InChIKeyFTZVRGDRIAPBKO-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.06
Rot. Bonds3

About 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine

2-(2-methyl-5-nitroimidazol-1-yl)ethanamine (PubChem CID 2724233) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-5-nitroimidazol-1-yl)ethanamine
PubChem CID2724233
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-(2-methyl-5-nitroimidazol-1-yl)ethanamine
SMILESCc1ncc([N+](=O)[O-])n1CCN
InChIInChI=1S/C6H10N4O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3,7H2,1H3
InChIKeyFTZVRGDRIAPBKO-UHFFFAOYSA-N
XLogP0.06
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine?
The IUPAC name of 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine (CID 2724233) is 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine is Cc1ncc([N+](=O)[O-])n1CCN.
What is the InChIKey of 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine?
The InChIKey is FTZVRGDRIAPBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3,7H2,1H3.
What are the key properties of 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine?
2-(2-methyl-5-nitroimidazol-1-yl)ethanamine has a molecular weight of 170.17 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-nitroimidazol-1-yl)ethanamine is sourced from PubChem (CID 2724233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).