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

C15H19N5O2 — CID 167770775

IUPAC6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid
SMILESCC(C)c1nc2n(n1)CCCC2Nc1cccc(C(=O)O)n1
InChIInChI=1S/C15H19N5O2/c1-9(2)13-18-14-10(6-4-8-20(14)19-13)16-12-7-3-5-11(17-12)15(21)22/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17)(H,21,22)
InChIKeySTCZWLIGCMFETO-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.44
Rot. Bonds4

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

6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid (PubChem CID 167770775) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid
PubChem CID167770775
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid
SMILESCC(C)c1nc2n(n1)CCCC2Nc1cccc(C(=O)O)n1
InChIInChI=1S/C15H19N5O2/c1-9(2)13-18-14-10(6-4-8-20(14)19-13)16-12-7-3-5-11(17-12)15(21)22/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17)(H,21,22)
InChIKeySTCZWLIGCMFETO-UHFFFAOYSA-N
XLogP2.44
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid (CID 167770775) is 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid is CC(C)c1nc2n(n1)CCCC2Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is STCZWLIGCMFETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9(2)13-18-14-10(6-4-8-20(14)19-13)16-12-7-3-5-11(17-12)15(21)22/h3,5,7,9-10H,4,6,8H2,1-2H3,(H,16,17)(H,21,22).
What are the key properties of 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid?
6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 167770775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).