2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide

C11H14N6O3 — CID 119092147

IUPAC2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide
SMILESCN(C)/N=N/c1c(C(N)=O)cc(C(N)=O)cc1C(N)=O
InChIInChI=1S/C11H14N6O3/c1-17(2)16-15-8-6(10(13)19)3-5(9(12)18)4-7(8)11(14)20/h3-4H,1-2H3,(H2,12,18)(H2,13,19)(H2,14,20)/b16-15+
InChIKeyFQEZVXHDEDRMOD-FOCLMDBBSA-N
MW278.27 g/mol
LogP-0.46
Rot. Bonds5

About 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide

2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide (PubChem CID 119092147) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide
PubChem CID119092147
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide
SMILESCN(C)/N=N/c1c(C(N)=O)cc(C(N)=O)cc1C(N)=O
InChIInChI=1S/C11H14N6O3/c1-17(2)16-15-8-6(10(13)19)3-5(9(12)18)4-7(8)11(14)20/h3-4H,1-2H3,(H2,12,18)(H2,13,19)(H2,14,20)/b16-15+
InChIKeyFQEZVXHDEDRMOD-FOCLMDBBSA-N
XLogP-0.46
TPSA157.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_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 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide?
The IUPAC name of 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide (CID 119092147) is 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide.
What is the SMILES notation for 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide?
The canonical SMILES for 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide is CN(C)/N=N/c1c(C(N)=O)cc(C(N)=O)cc1C(N)=O.
What is the InChIKey of 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide?
The InChIKey is FQEZVXHDEDRMOD-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-17(2)16-15-8-6(10(13)19)3-5(9(12)18)4-7(8)11(14)20/h3-4H,1-2H3,(H2,12,18)(H2,13,19)(H2,14,20)/b16-15+.
What are the key properties of 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide?
2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide has a molecular weight of 278.27 g/mol, XLogP of -0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminodiazenyl)benzene-1,3,5-tricarboxamide is sourced from PubChem (CID 119092147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).