5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine

C10H14N4O — CID 666403

IUPAC5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine
SMILESCCN(CC)c1ccc2nonc2c1N
InChIInChI=1S/C10H14N4O/c1-3-14(4-2)8-6-5-7-10(9(8)11)13-15-12-7/h5-6H,3-4,11H2,1-2H3
InChIKeyGJFQGIDAXKOEEB-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.65
Rot. Bonds3

About 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine

5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine (PubChem CID 666403) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine.

Molecular Properties

Compound Name5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine
PubChem CID666403
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine
SMILESCCN(CC)c1ccc2nonc2c1N
InChIInChI=1S/C10H14N4O/c1-3-14(4-2)8-6-5-7-10(9(8)11)13-15-12-7/h5-6H,3-4,11H2,1-2H3
InChIKeyGJFQGIDAXKOEEB-UHFFFAOYSA-N
XLogP1.65
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
The IUPAC name of 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine (CID 666403) is 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine.
What is the SMILES notation for 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
The canonical SMILES for 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine is CCN(CC)c1ccc2nonc2c1N.
What is the InChIKey of 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
The InChIKey is GJFQGIDAXKOEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-14(4-2)8-6-5-7-10(9(8)11)13-15-12-7/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine has a molecular weight of 206.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine is sourced from PubChem (CID 666403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).