[5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine

C16H28N4O — CID 102955913

IUPAC[5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine
SMILESCCc1nnc(N2CCC(C)C(OC)C2)c(CN)c1CC
InChIInChI=1S/C16H28N4O/c1-5-12-13(9-17)16(19-18-14(12)6-2)20-8-7-11(3)15(10-20)21-4/h11,15H,5-10,17H2,1-4H3
InChIKeyJFPQUELMDGATBW-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.92
Rot. Bonds5

About [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine (PubChem CID 102955913) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine
PubChem CID102955913
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name[5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine
SMILESCCc1nnc(N2CCC(C)C(OC)C2)c(CN)c1CC
InChIInChI=1S/C16H28N4O/c1-5-12-13(9-17)16(19-18-14(12)6-2)20-8-7-11(3)15(10-20)21-4/h11,15H,5-10,17H2,1-4H3
InChIKeyJFPQUELMDGATBW-UHFFFAOYSA-N
XLogP1.92
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5,6-diethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]pyridazin-4-yl]methanamine
CID 80508784
[5,6-diethyl-3-(2-ethylmorpholin-4-yl)pyridazin-4-yl]methanamine
CID 80507595
[3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine
CID 80509097
8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 80508232
6-(3-methoxy-4-methylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 102971402
5,6-diethyl-3-(3-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
CID 102970723
[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 102968522
2-(3-methoxy-4-methylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 102955657
5-amino-6-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102964148
3-(3-methoxy-4-methylpiperidin-1-yl)-5-propoxyaniline
CID 102955686
[2-(3-methoxy-4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 102968507
[5,6-diethyl-3-(3-ethylmorpholin-4-yl)pyridazin-4-yl]methanamine
CID 80507375

Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine (CID 102955913) is [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine is CCc1nnc(N2CCC(C)C(OC)C2)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine?
The InChIKey is JFPQUELMDGATBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-12-13(9-17)16(19-18-14(12)6-2)20-8-7-11(3)15(10-20)21-4/h11,15H,5-10,17H2,1-4H3.
What are the key properties of [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(3-methoxy-4-methylpiperidin-1-yl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 102955913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).