1-(aminodiazenyl)-2,3,4-trimethylbenzene

C9H13N3 — CID 20976812

IUPAC1-(aminodiazenyl)-2,3,4-trimethylbenzene
SMILESCc1ccc(/N=N/N)c(C)c1C
InChIInChI=1S/C9H13N3/c1-6-4-5-9(11-12-10)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11)
InChIKeyULHDWPTVSQUJNP-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.57
Rot. Bonds1

About 1-(aminodiazenyl)-2,3,4-trimethylbenzene

1-(aminodiazenyl)-2,3,4-trimethylbenzene (PubChem CID 20976812) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(aminodiazenyl)-2,3,4-trimethylbenzene.

Molecular Properties

Compound Name1-(aminodiazenyl)-2,3,4-trimethylbenzene
PubChem CID20976812
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name1-(aminodiazenyl)-2,3,4-trimethylbenzene
SMILESCc1ccc(/N=N/N)c(C)c1C
InChIInChI=1S/C9H13N3/c1-6-4-5-9(11-12-10)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11)
InChIKeyULHDWPTVSQUJNP-UHFFFAOYSA-N
XLogP2.57
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(aminodiazenyl)-2,3,4-trimethylbenzene 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 1-(aminodiazenyl)-2,3,4-trimethylbenzene?
The IUPAC name of 1-(aminodiazenyl)-2,3,4-trimethylbenzene (CID 20976812) is 1-(aminodiazenyl)-2,3,4-trimethylbenzene.
What is the SMILES notation for 1-(aminodiazenyl)-2,3,4-trimethylbenzene?
The canonical SMILES for 1-(aminodiazenyl)-2,3,4-trimethylbenzene is Cc1ccc(/N=N/N)c(C)c1C.
What is the InChIKey of 1-(aminodiazenyl)-2,3,4-trimethylbenzene?
The InChIKey is ULHDWPTVSQUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-4-5-9(11-12-10)8(3)7(6)2/h4-5H,1-3H3,(H2,10,11).
What are the key properties of 1-(aminodiazenyl)-2,3,4-trimethylbenzene?
1-(aminodiazenyl)-2,3,4-trimethylbenzene has a molecular weight of 163.22 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)-2,3,4-trimethylbenzene is sourced from PubChem (CID 20976812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).