N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine

C16H22N4O — CID 103175510

IUPACN-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(C)nc2CC)nn1
InChIInChI=1S/C16H22N4O/c1-4-10-17-11-13-7-9-16(20-19-13)21-15-8-6-12(3)18-14(15)5-2/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyKXOGTLSVKBCSEC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.03
Rot. Bonds7

About N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine

N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 103175510) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine
PubChem CID103175510
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(Oc2ccc(C)nc2CC)nn1
InChIInChI=1S/C16H22N4O/c1-4-10-17-11-13-7-9-16(20-19-13)21-15-8-6-12(3)18-14(15)5-2/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyKXOGTLSVKBCSEC-UHFFFAOYSA-N
XLogP3.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[6-(2-methoxyphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62321643
N-[[6-(2-fluoro-3-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107660862
N-[[6-(2-bromo-4-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62297084
N-[[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]phenyl]methyl]propan-1-amine
CID 103175271
N-[(6-propoxypyridazin-3-yl)methyl]propan-1-amine
CID 62291148
N-[[6-(3-fluoro-4-methylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 107170628
1-[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 103175444
N-[[6-(4-chloro-3-ethylphenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62322422
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
N-[[6-(3-fluorophenoxy)pyridazin-3-yl]methyl]propan-1-amine
CID 62323410
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377
[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methyl-3-pyridinyl]methanamine
CID 103175479

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine (CID 103175510) is N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(Oc2ccc(C)nc2CC)nn1.
What is the InChIKey of N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is KXOGTLSVKBCSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-10-17-11-13-7-9-16(20-19-13)21-15-8-6-12(3)18-14(15)5-2/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 103175510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).