2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C13H15N5O4 — CID 82555612

IUPAC2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2c(N3CCC(C(=O)O)CC3)ccc(C(=O)O)n2n1
InChIInChI=1S/C13H15N5O4/c14-13-15-10-8(1-2-9(12(21)22)18(10)16-13)17-5-3-7(4-6-17)11(19)20/h1-2,7H,3-6H2,(H2,14,16)(H,19,20)(H,21,22)
InChIKeyUGKJBJWCQZOCBG-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.31
Rot. Bonds3

About 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82555612) has the molecular formula C13H15N5O4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82555612
Molecular FormulaC13H15N5O4
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2c(N3CCC(C(=O)O)CC3)ccc(C(=O)O)n2n1
InChIInChI=1S/C13H15N5O4/c14-13-15-10-8(1-2-9(12(21)22)18(10)16-13)17-5-3-7(4-6-17)11(19)20/h1-2,7H,3-6H2,(H2,14,16)(H,19,20)(H,21,22)
InChIKeyUGKJBJWCQZOCBG-UHFFFAOYSA-N
XLogP0.31
TPSA134.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

1-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-4-carboxylic acid
CID 82555480
2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555614
2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556883
2-amino-8-(2-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556889
1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid
CID 69043416
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
1-(3-amino-1H-1,2,4-triazole-5-carbonyl)piperidine-4-carboxylic acid
CID 62793007
1-(2-aminopyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 178108022
5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;cyclopropanecarboxylic acid
CID 159857656
1-(5-amino-2-nitrophenyl)piperidine-4-carboxylic acid
CID 120963881
1-(3-amino-6-bromopyrazin-2-yl)piperidine-4-carboxylic acid
CID 71448569

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82555612) is 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is Nc1nc2c(N3CCC(C(=O)O)CC3)ccc(C(=O)O)n2n1.
What is the InChIKey of 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is UGKJBJWCQZOCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O4/c14-13-15-10-8(1-2-9(12(21)22)18(10)16-13)17-5-3-7(4-6-17)11(19)20/h1-2,7H,3-6H2,(H2,14,16)(H,19,20)(H,21,22).
What are the key properties of 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-carboxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82555612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).