2,5-bis(methylamino)benzenediazonium

C8H11N4+ — CID 173436983

IUPAC2,5-bis(methylamino)benzenediazonium
SMILESCNc1ccc(NC)c([N+]#N)c1
InChIInChI=1S/C8H10N4/c1-10-6-3-4-7(11-2)8(5-6)12-9/h3-5,9H,1-2H3/p+1
InChIKeySXFKHLCRKWUPOG-UHFFFAOYSA-O
MW163.20 g/mol
LogP2.25
Rot. Bonds2

About 2,5-bis(methylamino)benzenediazonium

2,5-bis(methylamino)benzenediazonium (PubChem CID 173436983) has the molecular formula C8H11N4+ and a molecular weight of 163.20 g/mol. Its IUPAC name is 2,5-bis(methylamino)benzenediazonium.

Molecular Properties

Compound Name2,5-bis(methylamino)benzenediazonium
PubChem CID173436983
Molecular FormulaC8H11N4+
Molecular Weight163.20 g/mol
Exact Mass163.10
IUPAC Name2,5-bis(methylamino)benzenediazonium
SMILESCNc1ccc(NC)c([N+]#N)c1
InChIInChI=1S/C8H10N4/c1-10-6-3-4-7(11-2)8(5-6)12-9/h3-5,9H,1-2H3/p+1
InChIKeySXFKHLCRKWUPOG-UHFFFAOYSA-O
XLogP2.25
TPSA52.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,5-bis(methylamino)benzenediazonium?
The IUPAC name of 2,5-bis(methylamino)benzenediazonium (CID 173436983) is 2,5-bis(methylamino)benzenediazonium.
What is the SMILES notation for 2,5-bis(methylamino)benzenediazonium?
The canonical SMILES for 2,5-bis(methylamino)benzenediazonium is CNc1ccc(NC)c([N+]#N)c1.
What is the InChIKey of 2,5-bis(methylamino)benzenediazonium?
The InChIKey is SXFKHLCRKWUPOG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N4/c1-10-6-3-4-7(11-2)8(5-6)12-9/h3-5,9H,1-2H3/p+1.
What are the key properties of 2,5-bis(methylamino)benzenediazonium?
2,5-bis(methylamino)benzenediazonium has a molecular weight of 163.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(methylamino)benzenediazonium is sourced from PubChem (CID 173436983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).