4-[2-(6-nitroindazol-2-yl)ethyl]morpholine

C13H16N4O3 — CID 66712456

IUPAC4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
SMILESO=[N+]([O-])c1ccc2cn(CCN3CCOCC3)nc2c1
InChIInChI=1S/C13H16N4O3/c18-17(19)12-2-1-11-10-16(14-13(11)9-12)4-3-15-5-7-20-8-6-15/h1-2,9-10H,3-8H2
InChIKeyWDCBKHZLTZBVOT-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.28
Rot. Bonds4

About 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine

4-[2-(6-nitroindazol-2-yl)ethyl]morpholine (PubChem CID 66712456) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
PubChem CID66712456
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
SMILESO=[N+]([O-])c1ccc2cn(CCN3CCOCC3)nc2c1
InChIInChI=1S/C13H16N4O3/c18-17(19)12-2-1-11-10-16(14-13(11)9-12)4-3-15-5-7-20-8-6-15/h1-2,9-10H,3-8H2
InChIKeyWDCBKHZLTZBVOT-UHFFFAOYSA-N
XLogP1.28
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
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 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine (CID 66712456) is 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine is O=[N+]([O-])c1ccc2cn(CCN3CCOCC3)nc2c1.
What is the InChIKey of 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine?
The InChIKey is WDCBKHZLTZBVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-17(19)12-2-1-11-10-16(14-13(11)9-12)4-3-15-5-7-20-8-6-15/h1-2,9-10H,3-8H2.
What are the key properties of 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine?
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine has a molecular weight of 276.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-nitroindazol-2-yl)ethyl]morpholine is sourced from PubChem (CID 66712456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).