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

C18H24N4 — CID 3088563

IUPAC4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCCCC1
InChIInChI=1S/C18H24N4/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)
InChIKeyQYPIWAWBCRJQPR-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.35
Rot. Bonds5

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

4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine (PubChem CID 3088563) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine
PubChem CID3088563
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCCCC1
InChIInChI=1S/C18H24N4/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)
InChIKeyQYPIWAWBCRJQPR-UHFFFAOYSA-N
XLogP3.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine?
The IUPAC name of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine (CID 3088563) is 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine.
What is the SMILES notation for 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine?
The canonical SMILES for 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine is Cc1cc(-c2ccccc2)nnc1NCCN1CCCCC1.
What is the InChIKey of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine?
The InChIKey is QYPIWAWBCRJQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/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).
What are the key properties of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine?
4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine has a molecular weight of 296.42 g/mol, XLogP of 3.35, 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 is sourced from PubChem (CID 3088563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).