[3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine

C16H28N4 — CID 80509097

IUPAC[3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(N2CC(C)CCC2C)c(CN)c1CC
InChIInChI=1S/C16H28N4/c1-5-13-14(9-17)16(19-18-15(13)6-2)20-10-11(3)7-8-12(20)4/h11-12H,5-10,17H2,1-4H3
InChIKeyKZHRCRFYUWAIMB-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.68
Rot. Bonds4

About [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine

[3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine (PubChem CID 80509097) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine
PubChem CID80509097
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name[3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine
SMILESCCc1nnc(N2CC(C)CCC2C)c(CN)c1CC
InChIInChI=1S/C16H28N4/c1-5-13-14(9-17)16(19-18-15(13)6-2)20-10-11(3)7-8-12(20)4/h11-12H,5-10,17H2,1-4H3
InChIKeyKZHRCRFYUWAIMB-UHFFFAOYSA-N
XLogP2.68
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine (CID 80509097) is [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine is CCc1nnc(N2CC(C)CCC2C)c(CN)c1CC.
What is the InChIKey of [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine?
The InChIKey is KZHRCRFYUWAIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-13-14(9-17)16(19-18-15(13)6-2)20-10-11(3)7-8-12(20)4/h11-12H,5-10,17H2,1-4H3.
What are the key properties of [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine?
[3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine has a molecular weight of 276.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylpiperidin-1-yl)-5,6-diethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 80509097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).