2-(5-methyltriazol-1-yl)benzenediazonium

C9H8N5+ — CID 10704234

IUPAC2-(5-methyltriazol-1-yl)benzenediazonium
SMILESCc1cnnn1-c1ccccc1[N+]#N
InChIInChI=1S/C9H8N5/c1-7-6-11-13-14(7)9-5-3-2-4-8(9)12-10/h2-6H,1H3/q+1
InChIKeyPEHMXXLDNWOJKZ-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.06
Rot. Bonds1

About 2-(5-methyltriazol-1-yl)benzenediazonium

2-(5-methyltriazol-1-yl)benzenediazonium (PubChem CID 10704234) has the molecular formula C9H8N5+ and a molecular weight of 186.20 g/mol. Its IUPAC name is 2-(5-methyltriazol-1-yl)benzenediazonium.

Molecular Properties

Compound Name2-(5-methyltriazol-1-yl)benzenediazonium
PubChem CID10704234
Molecular FormulaC9H8N5+
Molecular Weight186.20 g/mol
Exact Mass186.08
IUPAC Name2-(5-methyltriazol-1-yl)benzenediazonium
SMILESCc1cnnn1-c1ccccc1[N+]#N
InChIInChI=1S/C9H8N5/c1-7-6-11-13-14(7)9-5-3-2-4-8(9)12-10/h2-6H,1H3/q+1
InChIKeyPEHMXXLDNWOJKZ-UHFFFAOYSA-N
XLogP2.06
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyltriazol-1-yl)benzenediazonium?
The IUPAC name of 2-(5-methyltriazol-1-yl)benzenediazonium (CID 10704234) is 2-(5-methyltriazol-1-yl)benzenediazonium.
What is the SMILES notation for 2-(5-methyltriazol-1-yl)benzenediazonium?
The canonical SMILES for 2-(5-methyltriazol-1-yl)benzenediazonium is Cc1cnnn1-c1ccccc1[N+]#N.
What is the InChIKey of 2-(5-methyltriazol-1-yl)benzenediazonium?
The InChIKey is PEHMXXLDNWOJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N5/c1-7-6-11-13-14(7)9-5-3-2-4-8(9)12-10/h2-6H,1H3/q+1.
What are the key properties of 2-(5-methyltriazol-1-yl)benzenediazonium?
2-(5-methyltriazol-1-yl)benzenediazonium has a molecular weight of 186.20 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyltriazol-1-yl)benzenediazonium is sourced from PubChem (CID 10704234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).