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

C12H20N4 — CID 80509071

IUPAC[3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine
SMILESCC1CCC(C)N(c2nnccc2CN)C1
InChIInChI=1S/C12H20N4/c1-9-3-4-10(2)16(8-9)12-11(7-13)5-6-14-15-12/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyVRYBXQMGQRLYJZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.56
Rot. Bonds2

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

[3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine (PubChem CID 80509071) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine
PubChem CID80509071
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine
SMILESCC1CCC(C)N(c2nnccc2CN)C1
InChIInChI=1S/C12H20N4/c1-9-3-4-10(2)16(8-9)12-11(7-13)5-6-14-15-12/h5-6,9-10H,3-4,7-8,13H2,1-2H3
InChIKeyVRYBXQMGQRLYJZ-UHFFFAOYSA-N
XLogP1.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.56
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)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine (CID 80509071) is [3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine is CC1CCC(C)N(c2nnccc2CN)C1.
What is the InChIKey of [3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine?
The InChIKey is VRYBXQMGQRLYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-3-4-10(2)16(8-9)12-11(7-13)5-6-14-15-12/h5-6,9-10H,3-4,7-8,13H2,1-2H3.
What are the key properties of [3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine?
[3-(2,5-dimethylpiperidin-1-yl)pyridazin-4-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.56, 2 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)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80509071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).