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

C17H20N4O2 — CID 82557558

IUPAC2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2n(n1)CC(c1ccc3c(c1)CCCC3)C(C(=O)O)C2
InChIInChI=1S/C17H20N4O2/c18-17-19-15-8-13(16(22)23)14(9-21(15)20-17)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13-14H,1-4,8-9H2,(H2,18,20)(H,22,23)
InChIKeyRMEHGAQISUZLFG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.78
Rot. Bonds2

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

2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 82557558) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID82557558
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESNc1nc2n(n1)CC(c1ccc3c(c1)CCCC3)C(C(=O)O)C2
InChIInChI=1S/C17H20N4O2/c18-17-19-15-8-13(16(22)23)14(9-21(15)20-17)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13-14H,1-4,8-9H2,(H2,18,20)(H,22,23)
InChIKeyRMEHGAQISUZLFG-UHFFFAOYSA-N
XLogP1.78
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(2-amino-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoic acid
CID 82557107
1-(2,3-dihydro-1H-indene-5-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363618
2-amino-6-quinolin-6-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82557620
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
2-methyl-4-(4-methylphenyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 128641810
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
(2R,3R)-2-methyl-1-[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 122114947
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-phenylcyclopropyl)ethanone
CID 114974399
2-[4-(2,3-dihydro-1H-inden-5-yl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 82306781
6-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557124
5-(2,3-dihydro-1H-inden-5-yl)-4-methylpyrrolidine-2-carboxylic acid
CID 82384952

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 82557558) is 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is Nc1nc2n(n1)CC(c1ccc3c(c1)CCCC3)C(C(=O)O)C2.
What is the InChIKey of 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is RMEHGAQISUZLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c18-17-19-15-8-13(16(22)23)14(9-21(15)20-17)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,13-14H,1-4,8-9H2,(H2,18,20)(H,22,23).
What are the key properties of 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 82557558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).