2-(azidomethyl)-1,3,5-trimethylbenzene

C10H13N3 — CID 10631091

IUPAC2-(azidomethyl)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(CN=[N+]=[N-])c(C)c1
InChIInChI=1S/C10H13N3/c1-7-4-8(2)10(6-12-13-11)9(3)5-7/h4-5H,6H2,1-3H3
InChIKeyQZRDSVMEBMBTKU-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.42
Rot. Bonds2

About 2-(azidomethyl)-1,3,5-trimethylbenzene

2-(azidomethyl)-1,3,5-trimethylbenzene (PubChem CID 10631091) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(azidomethyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(azidomethyl)-1,3,5-trimethylbenzene
PubChem CID10631091
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(azidomethyl)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(CN=[N+]=[N-])c(C)c1
InChIInChI=1S/C10H13N3/c1-7-4-8(2)10(6-12-13-11)9(3)5-7/h4-5H,6H2,1-3H3
InChIKeyQZRDSVMEBMBTKU-UHFFFAOYSA-N
XLogP3.42
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(azidomethyl)-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-(azidomethyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(azidomethyl)-1,3,5-trimethylbenzene (CID 10631091) is 2-(azidomethyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(azidomethyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(azidomethyl)-1,3,5-trimethylbenzene is Cc1cc(C)c(CN=[N+]=[N-])c(C)c1.
What is the InChIKey of 2-(azidomethyl)-1,3,5-trimethylbenzene?
The InChIKey is QZRDSVMEBMBTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-4-8(2)10(6-12-13-11)9(3)5-7/h4-5H,6H2,1-3H3.
What are the key properties of 2-(azidomethyl)-1,3,5-trimethylbenzene?
2-(azidomethyl)-1,3,5-trimethylbenzene has a molecular weight of 175.23 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 10631091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).