N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine

C17H22N4 — CID 62285310

IUPACN-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C17H22N4/c1-13(2)18-11-16-7-8-17(20-19-16)21-10-9-14-5-3-4-6-15(14)12-21/h3-8,13,18H,9-12H2,1-2H3
InChIKeyRYTPYQBKQVYPRA-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.54
Rot. Bonds4

About N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine

N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine (PubChem CID 62285310) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
PubChem CID62285310
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C17H22N4/c1-13(2)18-11-16-7-8-17(20-19-16)21-10-9-14-5-3-4-6-15(14)12-21/h3-8,13,18H,9-12H2,1-2H3
InChIKeyRYTPYQBKQVYPRA-UHFFFAOYSA-N
XLogP2.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine (CID 62285310) is N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine is CC(C)NCc1ccc(N2CCc3ccccc3C2)nn1.
What is the InChIKey of N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine?
The InChIKey is RYTPYQBKQVYPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13(2)18-11-16-7-8-17(20-19-16)21-10-9-14-5-3-4-6-15(14)12-21/h3-8,13,18H,9-12H2,1-2H3.
What are the key properties of N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine?
N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62285310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).