6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine

C19H24N4O2 — CID 10593268

IUPAC6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine
SMILESCc1cc(-c2ccc3c(c2)OCO3)nnc1NCCN1CCCCC1
InChIInChI=1S/C19H24N4O2/c1-14-11-16(15-5-6-17-18(12-15)25-13-24-17)21-22-19(14)20-7-10-23-8-3-2-4-9-23/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,20,22)
InChIKeyVUSSXUIWFZLTIX-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.08
Rot. Bonds5

About 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine

6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine (PubChem CID 10593268) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine
PubChem CID10593268
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine
SMILESCc1cc(-c2ccc3c(c2)OCO3)nnc1NCCN1CCCCC1
InChIInChI=1S/C19H24N4O2/c1-14-11-16(15-5-6-17-18(12-15)25-13-24-17)21-22-19(14)20-7-10-23-8-3-2-4-9-23/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,20,22)
InChIKeyVUSSXUIWFZLTIX-UHFFFAOYSA-N
XLogP3.08
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine (CID 10593268) is 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine is Cc1cc(-c2ccc3c(c2)OCO3)nnc1NCCN1CCCCC1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine?
The InChIKey is VUSSXUIWFZLTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-11-16(15-5-6-17-18(12-15)25-13-24-17)21-22-19(14)20-7-10-23-8-3-2-4-9-23/h5-6,11-12H,2-4,7-10,13H2,1H3,(H,20,22).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine?
6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine has a molecular weight of 340.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine is sourced from PubChem (CID 10593268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).