2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C13H10N4O3 — CID 82556883

IUPAC2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2c(-c3ccc(O)cc3)ccc(C(=O)O)n2n1
InChIInChI=1S/C13H10N4O3/c14-13-15-11-9(7-1-3-8(18)4-2-7)5-6-10(12(19)20)17(11)16-13/h1-6,18H,(H2,14,16)(H,19,20)
InChIKeyDHLVCAUVSVUZPA-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.38
Rot. Bonds2

About 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82556883) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82556883
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2c(-c3ccc(O)cc3)ccc(C(=O)O)n2n1
InChIInChI=1S/C13H10N4O3/c14-13-15-11-9(7-1-3-8(18)4-2-7)5-6-10(12(19)20)17(11)16-13/h1-6,18H,(H2,14,16)(H,19,20)
InChIKeyDHLVCAUVSVUZPA-UHFFFAOYSA-N
XLogP1.38
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556895
2-amino-8-(2-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556889
2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555597
2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555600
2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555612
2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555614
2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 84719956
2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556809
2-amino-6-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556780
4-[5-hydroxy-2-(4-hydroxyphenyl)phenyl]benzoic acid
CID 175428259
3-(4-hydroxyphenyl)phthalic acid
CID 45486596
[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-phenylmethanone
CID 155538054

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82556883) is 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is Nc1nc2c(-c3ccc(O)cc3)ccc(C(=O)O)n2n1.
What is the InChIKey of 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is DHLVCAUVSVUZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c14-13-15-11-9(7-1-3-8(18)4-2-7)5-6-10(12(19)20)17(11)16-13/h1-6,18H,(H2,14,16)(H,19,20).
What are the key properties of 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82556883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).