5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile

C12H11N5O — CID 54043988

IUPAC5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(/N=N/N2CCOCC2)c1
InChIInChI=1S/C12H11N5O/c13-8-10-5-11(9-14)7-12(6-10)15-16-17-1-3-18-4-2-17/h5-7H,1-4H2/b16-15+
InChIKeyLOGVNOWBHHGWCH-FOCLMDBBSA-N
MW241.25 g/mol
LogP1.76
Rot. Bonds2

About 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile

5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile (PubChem CID 54043988) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile
PubChem CID54043988
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(/N=N/N2CCOCC2)c1
InChIInChI=1S/C12H11N5O/c13-8-10-5-11(9-14)7-12(6-10)15-16-17-1-3-18-4-2-17/h5-7H,1-4H2/b16-15+
InChIKeyLOGVNOWBHHGWCH-FOCLMDBBSA-N
XLogP1.76
TPSA84.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile?
The IUPAC name of 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile (CID 54043988) is 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(/N=N/N2CCOCC2)c1.
What is the InChIKey of 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile?
The InChIKey is LOGVNOWBHHGWCH-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H11N5O/c13-8-10-5-11(9-14)7-12(6-10)15-16-17-1-3-18-4-2-17/h5-7H,1-4H2/b16-15+.
What are the key properties of 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile?
5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile has a molecular weight of 241.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-yldiazenyl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 54043988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).