2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C20H16N4O3 — CID 82555687

IUPAC2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2cc(C(=O)O)c(-c3ccc(OCc4ccccc4)cc3)cn2n1
InChIInChI=1S/C20H16N4O3/c21-20-22-18-10-16(19(25)26)17(11-24(18)23-20)14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,23)(H,25,26)
InChIKeyGIDQULRUBXEJDJ-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.26
Rot. Bonds5

About 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 82555687) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID82555687
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2cc(C(=O)O)c(-c3ccc(OCc4ccccc4)cc3)cn2n1
InChIInChI=1S/C20H16N4O3/c21-20-22-18-10-16(19(25)26)17(11-24(18)23-20)14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,23)(H,25,26)
InChIKeyGIDQULRUBXEJDJ-UHFFFAOYSA-N
XLogP3.26
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556809
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
2-amino-6-(2-methoxy-5-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82555678
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644
2-carboxy-5-phenylmethoxyphenolate
CID 86309199
4-(4-phenylmethoxyphenyl)isoquinoline-6-carboxylic acid
CID 122457464
6-ethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711645
4-phenylmethoxybenzoic acid
CID 68896574
ethane;4-phenylmethoxyphthalic acid
CID 90802135
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 86663009
methyl 3-amino-6-(4-phenylmethoxyphenyl)pyrazine-2-carboxylate
CID 170459078

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 82555687) is 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is Nc1nc2cc(C(=O)O)c(-c3ccc(OCc4ccccc4)cc3)cn2n1.
What is the InChIKey of 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is GIDQULRUBXEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c21-20-22-18-10-16(19(25)26)17(11-24(18)23-20)14-6-8-15(9-7-14)27-12-13-4-2-1-3-5-13/h1-11H,12H2,(H2,21,23)(H,25,26).
What are the key properties of 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82555687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).