6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine

C20H27ClN4 — CID 23187465

IUPAC6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine
SMILESCc1cc(NCC(C)(C)N2CCCCC2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN4/c1-15-13-18(22-14-20(2,3)25-11-5-4-6-12-25)23-24-19(15)16-7-9-17(21)10-8-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,22,23)
InChIKeySAGSWRTZCMVTRA-UHFFFAOYSA-N
MW358.92 g/mol
LogP4.78
Rot. Bonds5

About 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine

6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine (PubChem CID 23187465) has the molecular formula C20H27ClN4 and a molecular weight of 358.92 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine
PubChem CID23187465
Molecular FormulaC20H27ClN4
Molecular Weight358.92 g/mol
Exact Mass358.19
IUPAC Name6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine
SMILESCc1cc(NCC(C)(C)N2CCCCC2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN4/c1-15-13-18(22-14-20(2,3)25-11-5-4-6-12-25)23-24-19(15)16-7-9-17(21)10-8-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,22,23)
InChIKeySAGSWRTZCMVTRA-UHFFFAOYSA-N
XLogP4.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.92
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine?
The IUPAC name of 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine (CID 23187465) is 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine is Cc1cc(NCC(C)(C)N2CCCCC2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine?
The InChIKey is SAGSWRTZCMVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4/c1-15-13-18(22-14-20(2,3)25-11-5-4-6-12-25)23-24-19(15)16-7-9-17(21)10-8-16/h7-10,13H,4-6,11-12,14H2,1-3H3,(H,22,23).
What are the key properties of 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine?
6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine has a molecular weight of 358.92 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyridazin-3-amine is sourced from PubChem (CID 23187465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).