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

C12H10N4O — CID 137006538

IUPAC2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
SMILESNc1ccc2nnc(-c3ccccc3O)n2c1
InChIInChI=1S/C12H10N4O/c13-8-5-6-11-14-15-12(16(11)7-8)9-3-1-2-4-10(9)17/h1-7,17H,13H2
InChIKeyGSYSCTYKFSXPNO-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.68
Rot. Bonds1

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

2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol (PubChem CID 137006538) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
PubChem CID137006538
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
SMILESNc1ccc2nnc(-c3ccccc3O)n2c1
InChIInChI=1S/C12H10N4O/c13-8-5-6-11-14-15-12(16(11)7-8)9-3-1-2-4-10(9)17/h1-7,17H,13H2
InChIKeyGSYSCTYKFSXPNO-UHFFFAOYSA-N
XLogP1.68
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 137006539
3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 79205858
3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63078412
3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139829
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 55087007
3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139848
3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 106863675
3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538376
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride
CID 138040683
6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139828
3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538543

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The IUPAC name of 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol (CID 137006538) is 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol.
What is the SMILES notation for 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The canonical SMILES for 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol is Nc1ccc2nnc(-c3ccccc3O)n2c1.
What is the InChIKey of 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
The InChIKey is GSYSCTYKFSXPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-8-5-6-11-14-15-12(16(11)7-8)9-3-1-2-4-10(9)17/h1-7,17H,13H2.
What are the key properties of 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol?
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol has a molecular weight of 226.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol is sourced from PubChem (CID 137006538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).