3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol

C11H12N4O — CID 137001434

IUPAC3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol
SMILESOc1cccc(-n2nnc3c2NCCC3)c1
InChIInChI=1S/C11H12N4O/c16-9-4-1-3-8(7-9)15-11-10(13-14-15)5-2-6-12-11/h1,3-4,7,12,16H,2,5-6H2
InChIKeyODWMGKPXKUWMBI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.33
Rot. Bonds1

About 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol

3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol (PubChem CID 137001434) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol
PubChem CID137001434
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol
SMILESOc1cccc(-n2nnc3c2NCCC3)c1
InChIInChI=1S/C11H12N4O/c16-9-4-1-3-8(7-9)15-11-10(13-14-15)5-2-6-12-11/h1,3-4,7,12,16H,2,5-6H2
InChIKeyODWMGKPXKUWMBI-UHFFFAOYSA-N
XLogP1.33
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol 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 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol?
The IUPAC name of 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol (CID 137001434) is 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol.
What is the SMILES notation for 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol?
The canonical SMILES for 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol is Oc1cccc(-n2nnc3c2NCCC3)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol?
The InChIKey is ODWMGKPXKUWMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-9-4-1-3-8(7-9)15-11-10(13-14-15)5-2-6-12-11/h1,3-4,7,12,16H,2,5-6H2.
What are the key properties of 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol?
3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol has a molecular weight of 216.24 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-3-yl)phenol is sourced from PubChem (CID 137001434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).