2,3,4,5-tetramethylbenzenediazonium

C10H13N2+ — CID 20674053

IUPAC2,3,4,5-tetramethylbenzenediazonium
SMILESCc1cc([N+]#N)c(C)c(C)c1C
InChIInChI=1S/C10H13N2/c1-6-5-10(12-11)9(4)8(3)7(6)2/h5H,1-4H3/q+1
InChIKeyCFJTTXADNCGMIS-UHFFFAOYSA-N
MW161.23 g/mol
LogP3.40
Rot. Bonds

About 2,3,4,5-tetramethylbenzenediazonium

2,3,4,5-tetramethylbenzenediazonium (PubChem CID 20674053) has the molecular formula C10H13N2+ and a molecular weight of 161.23 g/mol. Its IUPAC name is 2,3,4,5-tetramethylbenzenediazonium.

Molecular Properties

Compound Name2,3,4,5-tetramethylbenzenediazonium
PubChem CID20674053
Molecular FormulaC10H13N2+
Molecular Weight161.23 g/mol
Exact Mass161.11
IUPAC Name2,3,4,5-tetramethylbenzenediazonium
SMILESCc1cc([N+]#N)c(C)c(C)c1C
InChIInChI=1S/C10H13N2/c1-6-5-10(12-11)9(4)8(3)7(6)2/h5H,1-4H3/q+1
InChIKeyCFJTTXADNCGMIS-UHFFFAOYSA-N
XLogP3.40
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethylbenzenediazonium?
The IUPAC name of 2,3,4,5-tetramethylbenzenediazonium (CID 20674053) is 2,3,4,5-tetramethylbenzenediazonium.
What is the SMILES notation for 2,3,4,5-tetramethylbenzenediazonium?
The canonical SMILES for 2,3,4,5-tetramethylbenzenediazonium is Cc1cc([N+]#N)c(C)c(C)c1C.
What is the InChIKey of 2,3,4,5-tetramethylbenzenediazonium?
The InChIKey is CFJTTXADNCGMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2/c1-6-5-10(12-11)9(4)8(3)7(6)2/h5H,1-4H3/q+1.
What are the key properties of 2,3,4,5-tetramethylbenzenediazonium?
2,3,4,5-tetramethylbenzenediazonium has a molecular weight of 161.23 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethylbenzenediazonium is sourced from PubChem (CID 20674053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).