2,4-diazido-1,3,5-trimethylbenzene

C9H10N6 — CID 71379513

IUPAC2,4-diazido-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(N=[N+]=[N-])c(C)c1N=[N+]=[N-]
InChIInChI=1S/C9H10N6/c1-5-4-6(2)9(13-15-11)7(3)8(5)12-14-10/h4H,1-3H3
InChIKeyLAOFZMXMVSVMQS-UHFFFAOYSA-N
MW202.22 g/mol
LogP4.50
Rot. Bonds2

About 2,4-diazido-1,3,5-trimethylbenzene

2,4-diazido-1,3,5-trimethylbenzene (PubChem CID 71379513) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2,4-diazido-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2,4-diazido-1,3,5-trimethylbenzene
PubChem CID71379513
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2,4-diazido-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(N=[N+]=[N-])c(C)c1N=[N+]=[N-]
InChIInChI=1S/C9H10N6/c1-5-4-6(2)9(13-15-11)7(3)8(5)12-14-10/h4H,1-3H3
InChIKeyLAOFZMXMVSVMQS-UHFFFAOYSA-N
XLogP4.50
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2,4-diazido-1,3,5-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 2,4-diazido-1,3,5-trimethylbenzene?
The IUPAC name of 2,4-diazido-1,3,5-trimethylbenzene (CID 71379513) is 2,4-diazido-1,3,5-trimethylbenzene.
What is the SMILES notation for 2,4-diazido-1,3,5-trimethylbenzene?
The canonical SMILES for 2,4-diazido-1,3,5-trimethylbenzene is Cc1cc(C)c(N=[N+]=[N-])c(C)c1N=[N+]=[N-].
What is the InChIKey of 2,4-diazido-1,3,5-trimethylbenzene?
The InChIKey is LAOFZMXMVSVMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-5-4-6(2)9(13-15-11)7(3)8(5)12-14-10/h4H,1-3H3.
What are the key properties of 2,4-diazido-1,3,5-trimethylbenzene?
2,4-diazido-1,3,5-trimethylbenzene has a molecular weight of 202.22 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diazido-1,3,5-trimethylbenzene is sourced from PubChem (CID 71379513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).