2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C16H16N4O2 — CID 82565620

IUPAC2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nc2c(C(=O)O)ccc(-c3ccncc3)n2n1
InChIInChI=1S/C16H16N4O2/c1-16(2,3)15-18-13-11(14(21)22)4-5-12(20(13)19-15)10-6-8-17-9-7-10/h4-9H,1-3H3,(H,21,22)
InChIKeyIXZRHXMIDHRQDV-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds2

About 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82565620) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82565620
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nc2c(C(=O)O)ccc(-c3ccncc3)n2n1
InChIInChI=1S/C16H16N4O2/c1-16(2,3)15-18-13-11(14(21)22)4-5-12(20(13)19-15)10-6-8-17-9-7-10/h4-9H,1-3H3,(H,21,22)
InChIKeyIXZRHXMIDHRQDV-UHFFFAOYSA-N
XLogP2.79
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565619
2-(3-chlorophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565629
2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565546
methyl 2-(4-aminophenyl)-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565479
2-(2-methoxyethyl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565577
2-methyl-5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565677
bis(benzene-1,2,4,5-tetracarboxylic acid);4-pyridin-4-ylpyridine
CID 71380958
5-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565609
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbothioamide
CID 82565773
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401
2-methyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15042087
2-[2-(dimethylamino)ethyl]-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboximidamide
CID 82565923

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82565620) is 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is CC(C)(C)c1nc2c(C(=O)O)ccc(-c3ccncc3)n2n1.
What is the InChIKey of 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is IXZRHXMIDHRQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-16(2,3)15-18-13-11(14(21)22)4-5-12(20(13)19-15)10-6-8-17-9-7-10/h4-9H,1-3H3,(H,21,22).
What are the key properties of 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82565620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).