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

C19H25ClN4O2 — CID 45262867

IUPAC6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride
SMILESCc1cc(-c2ccc3c(c2)OCO3)nnc1NCCN1CCCCC1.Cl
InChIInChI=1S/C19H24N4O2.ClH/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);1H
InChIKeyNAHUZYDSOXYSFW-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.50
Rot. Bonds5

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

6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride (PubChem CID 45262867) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride
PubChem CID45262867
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride
SMILESCc1cc(-c2ccc3c(c2)OCO3)nnc1NCCN1CCCCC1.Cl
InChIInChI=1S/C19H24N4O2.ClH/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);1H
InChIKeyNAHUZYDSOXYSFW-UHFFFAOYSA-N
XLogP3.50
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydrochloride?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride (CID 45262867) is 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride is Cc1cc(-c2ccc3c(c2)OCO3)nnc1NCCN1CCCCC1.Cl.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride?
The InChIKey is NAHUZYDSOXYSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/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);1H.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride?
6-(1,3-benzodioxol-5-yl)-4-methyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 3.50, 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;hydrochloride is sourced from PubChem (CID 45262867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).