(2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine

C14H16N4 — CID 62592822

IUPAC(2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
SMILESNCC1Cc2ccccc2CN1c1cccnn1
InChIInChI=1S/C14H16N4/c15-9-13-8-11-4-1-2-5-12(11)10-18(13)14-6-3-7-16-17-14/h1-7,13H,8-10,15H2
InChIKeyFOUALOBEZQPJEZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.37
Rot. Bonds2

About (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine

(2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine (PubChem CID 62592822) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
PubChem CID62592822
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name(2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
SMILESNCC1Cc2ccccc2CN1c1cccnn1
InChIInChI=1S/C14H16N4/c15-9-13-8-11-4-1-2-5-12(11)10-18(13)14-6-3-7-16-17-14/h1-7,13H,8-10,15H2
InChIKeyFOUALOBEZQPJEZ-UHFFFAOYSA-N
XLogP1.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The IUPAC name of (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine (CID 62592822) is (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine.
What is the SMILES notation for (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The canonical SMILES for (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine is NCC1Cc2ccccc2CN1c1cccnn1.
What is the InChIKey of (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The InChIKey is FOUALOBEZQPJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-9-13-8-11-4-1-2-5-12(11)10-18(13)14-6-3-7-16-17-14/h1-7,13H,8-10,15H2.
What are the key properties of (2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
(2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine has a molecular weight of 240.31 g/mol, XLogP of 1.37, 2 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-3-yl)methanamine is sourced from PubChem (CID 62592822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).