2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C16H15N5O2 — CID 82555614

IUPAC2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2c(N3CCc4ccccc4C3)ccc(C(=O)O)n2n1
InChIInChI=1S/C16H15N5O2/c17-16-18-14-12(5-6-13(15(22)23)21(14)19-16)20-8-7-10-3-1-2-4-11(10)9-20/h1-6H,7-9H2,(H2,17,19)(H,22,23)
InChIKeyRCEKLAPCWRAQNB-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.57
Rot. Bonds2

About 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82555614) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82555614
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2c(N3CCc4ccccc4C3)ccc(C(=O)O)n2n1
InChIInChI=1S/C16H15N5O2/c17-16-18-14-12(5-6-13(15(22)23)21(14)19-16)20-8-7-10-3-1-2-4-11(10)9-20/h1-6H,7-9H2,(H2,17,19)(H,22,23)
InChIKeyRCEKLAPCWRAQNB-UHFFFAOYSA-N
XLogP1.57
TPSA96.75 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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid with MolForge

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Related Compounds

2-amino-8-(2-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556889
5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555646
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-2-amine
CID 18326759
2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556883
4-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-amine
CID 80749587
(3-amino-1H-1,2,4-triazol-5-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62806978
4-(chloromethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-amine
CID 28688828
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyrimidin-5-amine
CID 59868746
ethyl 8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 142683091
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide
CID 33071780
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-5-carboxylic acid
CID 82299175
4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-iodoaniline
CID 66093315

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82555614) is 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is Nc1nc2c(N3CCc4ccccc4C3)ccc(C(=O)O)n2n1.
What is the InChIKey of 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is RCEKLAPCWRAQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c17-16-18-14-12(5-6-13(15(22)23)21(14)19-16)20-8-7-10-3-1-2-4-11(10)9-20/h1-6H,7-9H2,(H2,17,19)(H,22,23).
What are the key properties of 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82555614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).