N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine

C13H20N4 — CID 114412750

IUPACN-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(N2CC=C(C)CC2)nn1
InChIInChI=1S/C13H20N4/c1-3-14-10-12-4-5-13(16-15-12)17-8-6-11(2)7-9-17/h4-6,14H,3,7-10H2,1-2H3
InChIKeyQJRSPVSFIKXVOP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.74
Rot. Bonds4

About N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine

N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine (PubChem CID 114412750) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
PubChem CID114412750
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(N2CC=C(C)CC2)nn1
InChIInChI=1S/C13H20N4/c1-3-14-10-12-4-5-13(16-15-12)17-8-6-11(2)7-9-17/h4-6,14H,3,7-10H2,1-2H3
InChIKeyQJRSPVSFIKXVOP-UHFFFAOYSA-N
XLogP1.74
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.74
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-(3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 114412594
N-[[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 62279640
N-[[6-(3,3,4-trimethylpiperazin-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 63621118
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]-2-methylpropan-1-amine
CID 114412848
N-[[6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridazin-3-yl]methyl]ethanamine
CID 79170376
N-[[6-(7,7-dimethyl-1,4-thiazepan-4-yl)pyridazin-3-yl]methyl]ethanamine
CID 107459537
N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 114413134
N-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62285405
N-[[6-(4-chloro-3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]methyl]ethanamine
CID 62293226
2-methyl-N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]propan-1-amine
CID 114412629
N-[[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]propan-2-amine
CID 114412860
N-[[6-(azepan-1-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 62284754

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine (CID 114412750) is N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(N2CC=C(C)CC2)nn1.
What is the InChIKey of N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is QJRSPVSFIKXVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-14-10-12-4-5-13(16-15-12)17-8-6-11(2)7-9-17/h4-6,14H,3,7-10H2,1-2H3.
What are the key properties of N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 232.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 114412750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).