2-morpholin-4-yl-1,3-selenazole-5-carbonitrile

C8H9N3OSe — CID 11322442

IUPAC2-morpholin-4-yl-1,3-selenazole-5-carbonitrile
SMILESN#Cc1cnc(N2CCOCC2)[se]1
InChIInChI=1S/C8H9N3OSe/c9-5-7-6-10-8(13-7)11-1-3-12-4-2-11/h6H,1-4H2
InChIKeyMZDISZKBLSTVMI-UHFFFAOYSA-N
MW242.14 g/mol
LogP-0.15
Rot. Bonds1

About 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile

2-morpholin-4-yl-1,3-selenazole-5-carbonitrile (PubChem CID 11322442) has the molecular formula C8H9N3OSe and a molecular weight of 242.14 g/mol. Its IUPAC name is 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-1,3-selenazole-5-carbonitrile
PubChem CID11322442
Molecular FormulaC8H9N3OSe
Molecular Weight242.14 g/mol
Exact Mass242.99
IUPAC Name2-morpholin-4-yl-1,3-selenazole-5-carbonitrile
SMILESN#Cc1cnc(N2CCOCC2)[se]1
InChIInChI=1S/C8H9N3OSe/c9-5-7-6-10-8(13-7)11-1-3-12-4-2-11/h6H,1-4H2
InChIKeyMZDISZKBLSTVMI-UHFFFAOYSA-N
XLogP-0.15
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile?
The IUPAC name of 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile (CID 11322442) is 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile.
What is the SMILES notation for 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile?
The canonical SMILES for 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile is N#Cc1cnc(N2CCOCC2)[se]1.
What is the InChIKey of 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile?
The InChIKey is MZDISZKBLSTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OSe/c9-5-7-6-10-8(13-7)11-1-3-12-4-2-11/h6H,1-4H2.
What are the key properties of 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile?
2-morpholin-4-yl-1,3-selenazole-5-carbonitrile has a molecular weight of 242.14 g/mol, XLogP of -0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1,3-selenazole-5-carbonitrile is sourced from PubChem (CID 11322442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).