3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine

C13H19N3 — CID 89276627

IUPAC3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine
SMILESC=C(C)C1CCN(c2ccc(C)nn2)CC1
InChIInChI=1S/C13H19N3/c1-10(2)12-6-8-16(9-7-12)13-5-4-11(3)14-15-13/h4-5,12H,1,6-9H2,2-3H3
InChIKeyNBRYGKLBWCBHHM-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.58
Rot. Bonds2

About 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine

3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine (PubChem CID 89276627) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine
PubChem CID89276627
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine
SMILESC=C(C)C1CCN(c2ccc(C)nn2)CC1
InChIInChI=1S/C13H19N3/c1-10(2)12-6-8-16(9-7-12)13-5-4-11(3)14-15-13/h4-5,12H,1,6-9H2,2-3H3
InChIKeyNBRYGKLBWCBHHM-UHFFFAOYSA-N
XLogP2.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine?
The IUPAC name of 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine (CID 89276627) is 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine is C=C(C)C1CCN(c2ccc(C)nn2)CC1.
What is the InChIKey of 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine?
The InChIKey is NBRYGKLBWCBHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)12-6-8-16(9-7-12)13-5-4-11(3)14-15-13/h4-5,12H,1,6-9H2,2-3H3.
What are the key properties of 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine?
3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine has a molecular weight of 217.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 89276627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).