2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine

C13H14N4 — CID 62481027

IUPAC2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(c1cccnn1)C2
InChIInChI=1S/C13H14N4/c14-12-4-1-3-10-9-17(8-6-11(10)12)13-5-2-7-15-16-13/h1-5,7H,6,8-9,14H2
InChIKeyAYVVGFXEJZDNQW-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.62
Rot. Bonds1

About 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine

2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 62481027) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID62481027
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESNc1cccc2c1CCN(c1cccnn1)C2
InChIInChI=1S/C13H14N4/c14-12-4-1-3-10-9-17(8-6-11(10)12)13-5-2-7-15-16-13/h1-5,7H,6,8-9,14H2
InChIKeyAYVVGFXEJZDNQW-UHFFFAOYSA-N
XLogP1.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine (CID 62481027) is 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine is Nc1cccc2c1CCN(c1cccnn1)C2.
What is the InChIKey of 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is AYVVGFXEJZDNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-12-4-1-3-10-9-17(8-6-11(10)12)13-5-2-7-15-16-13/h1-5,7H,6,8-9,14H2.
What are the key properties of 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine?
2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 226.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 62481027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).