2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

C13H9F3N4O — CID 136712639

IUPAC2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESNc1cccc(-c2nnc3ccc(C(F)(F)F)cn23)c1O
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)7-4-5-10-18-19-12(20(10)6-7)8-2-1-3-9(17)11(8)21/h1-6,21H,17H2
InChIKeyZEBUXKJSTZIOGI-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.70
Rot. Bonds1

About 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol

2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (PubChem CID 136712639) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.

Molecular Properties

Compound Name2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
PubChem CID136712639
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
SMILESNc1cccc(-c2nnc3ccc(C(F)(F)F)cn23)c1O
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)7-4-5-10-18-19-12(20(10)6-7)8-2-1-3-9(17)11(8)21/h1-6,21H,17H2
InChIKeyZEBUXKJSTZIOGI-UHFFFAOYSA-N
XLogP2.70
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]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

Related Compounds

2-[4-(Trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
CID 68775801
2-[6-(Methylamino) imidazo[1,2-b]pyridazin-3-yl]phenol
CID 136282900
Phenol, 2-(4-phenyl-5-(4-pyridinylamino)-4H-1,2,4-triazol-3-yl)-
CID 3068023
Phenol, 2-(4-phenyl-5-(2-pyridinylamino)-4H-1,2,4-triazol-3-yl)-
CID 3068024
Phenol, 2-(4-phenyl-5-((4-(4-pyridinyl)butyl)amino)-4H-1,2,4-triazol-3-yl)-
CID 3068025
4-[2-([1,2,4]Triazolo[1,5-a]pyridin-8-ylamino)ethyl]phenol
CID 90671747
2-[3-[5-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429578
2-[3-[3-(trifluoromethyl)-2-pyridyl]-1H-1,2,4-triazol-5-yl]phenol
CID 135429593
2-nitro-6-[(E)-{2-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hydrazinylidene}methyl]phenol
CID 135479859
2-(3-{[3-(Trifluoromethyl)phenyl]amino}imidazo[1,2-a]pyrazin-2-yl)phenol
CID 135620750
2,3-Difluoro-6-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]phenol
CID 177665492
4-(3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenol
CID 58118934

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The IUPAC name of 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol (CID 136712639) is 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol.
What is the SMILES notation for 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The canonical SMILES for 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is Nc1cccc(-c2nnc3ccc(C(F)(F)F)cn23)c1O.
What is the InChIKey of 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
The InChIKey is ZEBUXKJSTZIOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)7-4-5-10-18-19-12(20(10)6-7)8-2-1-3-9(17)11(8)21/h1-6,21H,17H2.
What are the key properties of 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol?
2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol has a molecular weight of 294.24 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol is sourced from PubChem (CID 136712639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).