N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine

C16H22N4O — CID 62294261

IUPACN-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)c2ccc(OC)cc2)nn1
InChIInChI=1S/C16H22N4O/c1-4-11-17-12-13-5-10-16(19-18-13)20(2)14-6-8-15(21-3)9-7-14/h5-10,17H,4,11-12H2,1-3H3
InChIKeyOBNZBZVQALHRLZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.75
Rot. Bonds7

About N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine

N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine (PubChem CID 62294261) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
PubChem CID62294261
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)c2ccc(OC)cc2)nn1
InChIInChI=1S/C16H22N4O/c1-4-11-17-12-13-5-10-16(19-18-13)20(2)14-6-8-15(21-3)9-7-14/h5-10,17H,4,11-12H2,1-3H3
InChIKeyOBNZBZVQALHRLZ-UHFFFAOYSA-N
XLogP2.75
TPSA50.28 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-methylphenyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62293538
N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62283074
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62287618
N-(2-methoxyethyl)-N-propan-2-yl-6-(propylaminomethyl)pyridazin-3-amine
CID 82953348
N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752896
N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294145
N-methyl-6-(propylaminomethyl)-N-(thiolan-3-yl)pyridazin-3-amine
CID 62280603
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62293320
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279753
N-(furan-3-ylmethyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 55059703
N-(4-fluorophenyl)-N-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 62293723
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine
CID 63025157

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine (CID 62294261) is N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine is CCCNCc1ccc(N(C)c2ccc(OC)cc2)nn1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
The InChIKey is OBNZBZVQALHRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-11-17-12-13-5-10-16(19-18-13)20(2)14-6-8-15(21-3)9-7-14/h5-10,17H,4,11-12H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine?
N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine is sourced from PubChem (CID 62294261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).