2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C15H15N5O2 — CID 82556742

IUPAC2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCN(C)c1ccccc1-c1cc(C(=O)O)c2nc(N)nn2c1
InChIInChI=1S/C15H15N5O2/c1-19(2)12-6-4-3-5-10(12)9-7-11(14(21)22)13-17-15(16)18-20(13)8-9/h3-8H,1-2H3,(H2,16,18)(H,21,22)
InChIKeyHLGBIEGKTPNQBB-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82556742) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82556742
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCN(C)c1ccccc1-c1cc(C(=O)O)c2nc(N)nn2c1
InChIInChI=1S/C15H15N5O2/c1-19(2)12-6-4-3-5-10(12)9-7-11(14(21)22)13-17-15(16)18-20(13)8-9/h3-8H,1-2H3,(H2,16,18)(H,21,22)
InChIKeyHLGBIEGKTPNQBB-UHFFFAOYSA-N
XLogP1.74
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82556725
2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82556745
2-amino-6-[[4-(dimethylamino)phenyl]methylamino]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82555861
2-amino-6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556781
2-amino-6-(2-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 82556787
2-(dimethylamino)benzoic acid;ethene
CID 157119009
5-[2-(dimethylamino)phenyl]pyridine-2-carboxylic acid
CID 50998545
3-[2-(dimethylamino)phenyl]-1-methylpyrazol-5-amine
CID 117308446
2-amino-6-[1-(1-benzylazetidin-3-yl)pyrazol-4-yl]-N-butan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 155232015
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
2-amino-8-nitro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 165494783
methyl 2-amino-6-bromo-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82555209

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82556742) is 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is CN(C)c1ccccc1-c1cc(C(=O)O)c2nc(N)nn2c1.
What is the InChIKey of 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is HLGBIEGKTPNQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-19(2)12-6-4-3-5-10(12)9-7-11(14(21)22)13-17-15(16)18-20(13)8-9/h3-8H,1-2H3,(H2,16,18)(H,21,22).
What are the key properties of 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 297.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82556742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).