4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride

C18H26Cl2N4 — CID 3088562

IUPAC4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCCCC1.Cl.Cl
InChIInChI=1S/C18H24N4.2ClH/c1-15-14-17(16-8-4-2-5-9-16)20-21-18(15)19-10-13-22-11-6-3-7-12-22;;/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21);2*1H
InChIKeyDFCQRQTYVZGUHY-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.19
Rot. Bonds5

About 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride

4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride (PubChem CID 3088562) has the molecular formula C18H26Cl2N4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride
PubChem CID3088562
Molecular FormulaC18H26Cl2N4
Molecular Weight369.34 g/mol
Exact Mass368.15
IUPAC Name4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCCCC1.Cl.Cl
InChIInChI=1S/C18H24N4.2ClH/c1-15-14-17(16-8-4-2-5-9-16)20-21-18(15)19-10-13-22-11-6-3-7-12-22;;/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21);2*1H
InChIKeyDFCQRQTYVZGUHY-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride 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 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride?
The IUPAC name of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride (CID 3088562) is 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride.
What is the SMILES notation for 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride?
The canonical SMILES for 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride is Cc1cc(-c2ccccc2)nnc1NCCN1CCCCC1.Cl.Cl.
What is the InChIKey of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride?
The InChIKey is DFCQRQTYVZGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.2ClH/c1-15-14-17(16-8-4-2-5-9-16)20-21-18(15)19-10-13-22-11-6-3-7-12-22;;/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride?
4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;dihydrochloride is sourced from PubChem (CID 3088562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).