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'}

Analyze 2,5-bis(methylamino)benzenediazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

zinc;2,5-bis(methylamino)benzenediazonium;trichloride
CID 173436982
2-ethenyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 169168599
4-tert-butyl-3-isocyano-N-methylaniline
CID 153497146
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-N,6-N,1,4-tetramethylnaphthalene-2,6-diamine
CID 139804075
[2,5-bis(methylamino)phenyl]-phenylmethanone
CID 57239314
zinc;2-(ethylamino)-5-methylbenzenediazonium;trichloride
CID 21116290
2-amino-4-(methylamino)benzenethiol;ethane
CID 142272168
3-N-iodo-1-N,4-dimethylbenzene-1,3-diamine
CID 166929518
3,4-difluoro-N-methylaniline;ethane
CID 143398651
4-tert-butyl-1-N-methylbenzene-1,3-diamine
CID 130787957
[2-amino-5-(methylamino)phenyl]boronic acid
CID 68786537

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).