1-phenyltriazolo[4,5-c]pyridine

C11H8N4 — CID 661622

IUPAC1-phenyltriazolo[4,5-c]pyridine
SMILESc1ccc(-n2nnc3cnccc32)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)15-11-6-7-12-8-10(11)13-14-15/h1-8H
InChIKeyPFELYOBDSJCMAM-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.82
Rot. Bonds1

About 1-phenyltriazolo[4,5-c]pyridine

1-phenyltriazolo[4,5-c]pyridine (PubChem CID 661622) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-phenyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-phenyltriazolo[4,5-c]pyridine
PubChem CID661622
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Name1-phenyltriazolo[4,5-c]pyridine
SMILESc1ccc(-n2nnc3cnccc32)cc1
InChIInChI=1S/C11H8N4/c1-2-4-9(5-3-1)15-11-6-7-12-8-10(11)13-14-15/h1-8H
InChIKeyPFELYOBDSJCMAM-UHFFFAOYSA-N
XLogP1.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyltriazolo[4,5-c]pyridine 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 1-phenyltriazolo[4,5-c]pyridine?
The IUPAC name of 1-phenyltriazolo[4,5-c]pyridine (CID 661622) is 1-phenyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 1-phenyltriazolo[4,5-c]pyridine?
The canonical SMILES for 1-phenyltriazolo[4,5-c]pyridine is c1ccc(-n2nnc3cnccc32)cc1.
What is the InChIKey of 1-phenyltriazolo[4,5-c]pyridine?
The InChIKey is PFELYOBDSJCMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c1-2-4-9(5-3-1)15-11-6-7-12-8-10(11)13-14-15/h1-8H.
What are the key properties of 1-phenyltriazolo[4,5-c]pyridine?
1-phenyltriazolo[4,5-c]pyridine has a molecular weight of 196.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 661622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).