2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C12H12N4O2 — CID 82567852

IUPAC2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccncc3)nn2C1
InChIInChI=1S/C12H12N4O2/c17-12(18)9-1-2-10-14-11(15-16(10)7-9)8-3-5-13-6-4-8/h3-6,9H,1-2,7H2,(H,17,18)
InChIKeyRNTALYWNCVDRAY-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.99
Rot. Bonds2

About 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 82567852) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID82567852
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(-c3ccncc3)nn2C1
InChIInChI=1S/C12H12N4O2/c17-12(18)9-1-2-10-14-11(15-16(10)7-9)8-3-5-13-6-4-8/h3-6,9H,1-2,7H2,(H,17,18)
InChIKeyRNTALYWNCVDRAY-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82567876
2-(3,5-dimethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82567877
1-pyridin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 82386396
2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83892838
2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 82567708
2-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117153310
2-(oxan-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117153253
2-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117153425
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965348
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
2-(4-bromophenyl)-6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117127941
2-(1-propan-2-ylpyrrolidin-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117153251

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 82567852) is 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is O=C(O)C1CCc2nc(-c3ccncc3)nn2C1.
What is the InChIKey of 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is RNTALYWNCVDRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-12(18)9-1-2-10-14-11(15-16(10)7-9)8-3-5-13-6-4-8/h3-6,9H,1-2,7H2,(H,17,18).
What are the key properties of 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 82567852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).