N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine

C16H16N4 — CID 105143467

IUPACN-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc2cnccc12
InChIInChI=1S/C16H16N4/c1-2-18-16(13-6-9-19-20-11-13)15-5-3-4-12-10-17-8-7-14(12)15/h3-11,16,18H,2H2,1H3
InChIKeyRVEDIYNNSZGCAJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.72
Rot. Bonds4

About N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine

N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine (PubChem CID 105143467) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
PubChem CID105143467
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC NameN-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine
SMILESCCNC(c1ccnnc1)c1cccc2cnccc12
InChIInChI=1S/C16H16N4/c1-2-18-16(13-6-9-19-20-11-13)15-5-3-4-12-10-17-8-7-14(12)15/h3-11,16,18H,2H2,1H3
InChIKeyRVEDIYNNSZGCAJ-UHFFFAOYSA-N
XLogP2.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
N-[(3-iodophenyl)-isoquinolin-5-ylmethyl]ethanamine
CID 115853165
N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
CID 105172732
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050
N-[(3-bromo-2-fluorophenyl)-pyridazin-4-ylmethyl]ethanamine
CID 106647759
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105141520
N-[(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethyl]ethanamine
CID 102803545
N-[(4-bromophenyl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136162
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(2,2-dimethylcyclopropyl)-isoquinolin-5-ylmethyl]ethanamine
CID 107004399
N-[(2-fluoro-3-methoxyphenyl)-pyridazin-4-ylmethyl]ethanamine
CID 105174724
1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
CID 105147444

Frequently Asked Questions

What is the IUPAC name of N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine?
The IUPAC name of N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine (CID 105143467) is N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine is CCNC(c1ccnnc1)c1cccc2cnccc12.
What is the InChIKey of N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine?
The InChIKey is RVEDIYNNSZGCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-18-16(13-6-9-19-20-11-13)15-5-3-4-12-10-17-8-7-14(12)15/h3-11,16,18H,2H2,1H3.
What are the key properties of N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine?
N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine has a molecular weight of 264.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[isoquinolin-5-yl(pyridazin-4-yl)methyl]ethanamine is sourced from PubChem (CID 105143467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).