4-(5-nitro-1H-indazol-3-yl)morpholine

C11H12N4O3 — CID 3051326

IUPAC4-(5-nitro-1H-indazol-3-yl)morpholine
SMILESO=[N+]([O-])c1ccc2[nH]nc(N3CCOCC3)c2c1
InChIInChI=1S/C11H12N4O3/c16-15(17)8-1-2-10-9(7-8)11(13-12-10)14-3-5-18-6-4-14/h1-2,7H,3-6H2,(H,12,13)
InChIKeyCEIINSLSGDHDFQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.31
Rot. Bonds2

About 4-(5-nitro-1H-indazol-3-yl)morpholine

4-(5-nitro-1H-indazol-3-yl)morpholine (PubChem CID 3051326) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-(5-nitro-1H-indazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(5-nitro-1H-indazol-3-yl)morpholine
PubChem CID3051326
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-(5-nitro-1H-indazol-3-yl)morpholine
SMILESO=[N+]([O-])c1ccc2[nH]nc(N3CCOCC3)c2c1
InChIInChI=1S/C11H12N4O3/c16-15(17)8-1-2-10-9(7-8)11(13-12-10)14-3-5-18-6-4-14/h1-2,7H,3-6H2,(H,12,13)
InChIKeyCEIINSLSGDHDFQ-UHFFFAOYSA-N
XLogP1.31
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.31
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 4-(5-nitro-1H-indazol-3-yl)morpholine?
The IUPAC name of 4-(5-nitro-1H-indazol-3-yl)morpholine (CID 3051326) is 4-(5-nitro-1H-indazol-3-yl)morpholine.
What is the SMILES notation for 4-(5-nitro-1H-indazol-3-yl)morpholine?
The canonical SMILES for 4-(5-nitro-1H-indazol-3-yl)morpholine is O=[N+]([O-])c1ccc2[nH]nc(N3CCOCC3)c2c1.
What is the InChIKey of 4-(5-nitro-1H-indazol-3-yl)morpholine?
The InChIKey is CEIINSLSGDHDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-15(17)8-1-2-10-9(7-8)11(13-12-10)14-3-5-18-6-4-14/h1-2,7H,3-6H2,(H,12,13).
What are the key properties of 4-(5-nitro-1H-indazol-3-yl)morpholine?
4-(5-nitro-1H-indazol-3-yl)morpholine has a molecular weight of 248.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-1H-indazol-3-yl)morpholine is sourced from PubChem (CID 3051326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).