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

C16H15N5O2 — CID 82557686

IUPAC2-amino-8-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)CCC2c1ccc2ncccc2c1
InChIInChI=1S/C16H15N5O2/c17-16-19-14-11(4-6-13(15(22)23)21(14)20-16)9-3-5-12-10(8-9)2-1-7-18-12/h1-3,5,7-8,11,13H,4,6H2,(H2,17,20)(H,22,23)
InChIKeyVIZYJMUVJYUBSJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.96
Rot. Bonds2

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

2-amino-8-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82557686) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-amino-8-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82557686
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-amino-8-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)CCC2c1ccc2ncccc2c1
InChIInChI=1S/C16H15N5O2/c17-16-19-14-11(4-6-13(15(22)23)21(14)20-16)9-3-5-12-10(8-9)2-1-7-18-12/h1-3,5,7-8,11,13H,4,6H2,(H2,17,20)(H,22,23)
InChIKeyVIZYJMUVJYUBSJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557620
2-quinolin-6-ylcyclobutane-1-carboxylic acid
CID 81221529
(2S,3aR,7aR)-1-(quinoline-6-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124731470
phenyl-[(2R)-2-quinolin-6-ylpiperidin-1-yl]methanone
CID 124501089
acetic acid;6-pyrrolidin-2-ylquinoline
CID 16740812
2-quinolin-6-ylcyclohexan-1-ol
CID 81223909
3-(quinoline-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62848994
3-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzoic acid
CID 82557041
ethane;quinoline-6-carboxylic acid
CID 91364452
6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline
CID 127038223
6-[2-(4-methylphenyl)cyclobutyl]quinoline
CID 172635808
6-(1-phenylpyrrolidin-2-yl)quinoline
CID 138973287

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-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-8-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82557686) is 2-amino-8-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-8-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-8-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)CCC2c1ccc2ncccc2c1.
What is the InChIKey of 2-amino-8-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is VIZYJMUVJYUBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-16-19-14-11(4-6-13(15(22)23)21(14)20-16)9-3-5-12-10(8-9)2-1-7-18-12/h1-3,5,7-8,11,13H,4,6H2,(H2,17,20)(H,22,23).
What are the key properties of 2-amino-8-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-8-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 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82557686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).