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

C16H15N5O2 — CID 82557620

IUPAC2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2n(n1)C(C(=O)O)C(c1ccc3ncccc3c1)CC2
InChIInChI=1S/C16H15N5O2/c17-16-19-13-6-4-11(14(15(22)23)21(13)20-16)9-3-5-12-10(8-9)2-1-7-18-12/h1-3,5,7-8,11,14H,4,6H2,(H2,17,20)(H,22,23)
InChIKeyWCYOGWLQKRTYKQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.76
Rot. Bonds2

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

2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82557620) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82557620
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2n(n1)C(C(=O)O)C(c1ccc3ncccc3c1)CC2
InChIInChI=1S/C16H15N5O2/c17-16-19-13-6-4-11(14(15(22)23)21(13)20-16)9-3-5-12-10(8-9)2-1-7-18-12/h1-3,5,7-8,11,14H,4,6H2,(H2,17,20)(H,22,23)
InChIKeyWCYOGWLQKRTYKQ-UHFFFAOYSA-N
XLogP1.76
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82557620) is 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is Nc1nc2n(n1)C(C(=O)O)C(c1ccc3ncccc3c1)CC2.
What is the InChIKey of 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is WCYOGWLQKRTYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-16-19-13-6-4-11(14(15(22)23)21(13)20-16)9-3-5-12-10(8-9)2-1-7-18-12/h1-3,5,7-8,11,14H,4,6H2,(H2,17,20)(H,22,23).
What are the key properties of 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82557620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).