3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol

C12H10N4O — CID 117158565

IUPAC3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESNc1ccccc1-c1nnc2c(O)cccn12
InChIInChI=1S/C12H10N4O/c13-9-5-2-1-4-8(9)11-14-15-12-10(17)6-3-7-16(11)12/h1-7,17H,13H2
InChIKeyAUZKDAYSOTTYNK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.68
Rot. Bonds1

About 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol

3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117158565) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID117158565
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESNc1ccccc1-c1nnc2c(O)cccn12
InChIInChI=1S/C12H10N4O/c13-9-5-2-1-4-8(9)11-14-15-12-10(17)6-3-7-16(11)12/h1-7,17H,13H2
InChIKeyAUZKDAYSOTTYNK-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

Computed Properties (RDKit)

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

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Related Compounds

2-(8-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 117158567
3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147107
3,5-bis(2-aminophenyl)-1,2,4-triazol-4-amine
CID 3818607
2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117146993
3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 28814025
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538
3-[2-(dimethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147323
3-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117147016
4-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 24697491
4-[8-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
CID 137006635
3-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146975
(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
CID 82054849

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117158565) is 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol is Nc1ccccc1-c1nnc2c(O)cccn12.
What is the InChIKey of 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is AUZKDAYSOTTYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-9-5-2-1-4-8(9)11-14-15-12-10(17)6-3-7-16(11)12/h1-7,17H,13H2.
What are the key properties of 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol 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 3-(2-aminophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117158565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).