3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide

C7H11N5O4 — CID 103229845

IUPAC3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide
SMILESCOCC(C(=O)NN)n1cnc([N+](=O)[O-])c1
InChIInChI=1S/C7H11N5O4/c1-16-3-5(7(13)10-8)11-2-6(9-4-11)12(14)15/h2,4-5H,3,8H2,1H3,(H,10,13)
InChIKeyZCANURGMXYJMLU-UHFFFAOYSA-N
MW229.20 g/mol
LogP-1.03
Rot. Bonds5

About 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide

3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide (PubChem CID 103229845) has the molecular formula C7H11N5O4 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide
PubChem CID103229845
Molecular FormulaC7H11N5O4
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide
SMILESCOCC(C(=O)NN)n1cnc([N+](=O)[O-])c1
InChIInChI=1S/C7H11N5O4/c1-16-3-5(7(13)10-8)11-2-6(9-4-11)12(14)15/h2,4-5H,3,8H2,1H3,(H,10,13)
InChIKeyZCANURGMXYJMLU-UHFFFAOYSA-N
XLogP-1.03
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide?
The IUPAC name of 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide (CID 103229845) is 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide?
The canonical SMILES for 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide is COCC(C(=O)NN)n1cnc([N+](=O)[O-])c1.
What is the InChIKey of 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide?
The InChIKey is ZCANURGMXYJMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O4/c1-16-3-5(7(13)10-8)11-2-6(9-4-11)12(14)15/h2,4-5H,3,8H2,1H3,(H,10,13).
What are the key properties of 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide?
3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide has a molecular weight of 229.20 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-nitroimidazol-1-yl)propanehydrazide is sourced from PubChem (CID 103229845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).