N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine

C12H18N4 — CID 114412594

IUPACN-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(N2CC=CCC2)nn1
InChIInChI=1S/C12H18N4/c1-2-13-10-11-6-7-12(15-14-11)16-8-4-3-5-9-16/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyXKHBGDHWSCMUGA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.35
Rot. Bonds4

About N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine

N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine (PubChem CID 114412594) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
PubChem CID114412594
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(N2CC=CCC2)nn1
InChIInChI=1S/C12H18N4/c1-2-13-10-11-6-7-12(15-14-11)16-8-4-3-5-9-16/h3-4,6-7,13H,2,5,8-10H2,1H3
InChIKeyXKHBGDHWSCMUGA-UHFFFAOYSA-N
XLogP1.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 114412750
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]ethanamine
CID 114412543
N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 62279640
N-[[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridazin-3-yl]methyl]ethanamine
CID 79170376
N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 63621118
N-[[6-(7,7-dimethyl-1,4-thiazepan-4-yl)pyridazin-3-yl]methyl]ethanamine
CID 107459537
N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62285405
N-[[6-(2,2,6-trimethylmorpholin-4-yl)pyridazin-3-yl]methyl]ethanamine
CID 62294833
[6-(2,5-dihydropyrrol-1-yl)pyridazin-3-yl]methanol
CID 130735742
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754
N-[[6-(3,4-dimethylpyrrolidin-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 79183359
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine (CID 114412594) is N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(N2CC=CCC2)nn1.
What is the InChIKey of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is XKHBGDHWSCMUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-13-10-11-6-7-12(15-14-11)16-8-4-3-5-9-16/h3-4,6-7,13H,2,5,8-10H2,1H3.
What are the key properties of N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 114412594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).