2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C15H15N5 — CID 114524381

IUPAC2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(c1nc3ccccn3n1)CC2
InChIInChI=1S/C15H15N5/c16-13-5-3-4-11-7-9-19(10-12(11)13)15-17-14-6-1-2-8-20(14)18-15/h1-6,8H,7,9-10,16H2
InChIKeyDQOVLUCARLLRGO-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.87
Rot. Bonds1

About 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524381) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524381
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(c1nc3ccccn3n1)CC2
InChIInChI=1S/C15H15N5/c16-13-5-3-4-11-7-9-19(10-12(11)13)15-17-14-6-1-2-8-20(14)18-15/h1-6,8H,7,9-10,16H2
InChIKeyDQOVLUCARLLRGO-UHFFFAOYSA-N
XLogP1.87
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine with MolForge

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Related Compounds

2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524501
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524293
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524548
2-(4-methylsulfonylphenyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524488
2-(1-methyl-4-nitropyrazol-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 103080370
2-(4-anilino-1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 141350806
2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524429
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
CID 114524411
2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
2-(6-propan-2-yloxypyrazin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524403
2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524399
2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524521

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524381) is 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(c1nc3ccccn3n1)CC2.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is DQOVLUCARLLRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c16-13-5-3-4-11-7-9-19(10-12(11)13)15-17-14-6-1-2-8-20(14)18-15/h1-6,8H,7,9-10,16H2.
What are the key properties of 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 265.32 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).