N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine

C22H26N4S — CID 11068893

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3ccc(-c4cccs4)nn3)CC2)cc1
InChIInChI=1S/C22H26N4S/c1-2-5-19(6-3-1)17-26-14-11-18(12-15-26)10-13-23-22-9-8-20(24-25-22)21-7-4-16-27-21/h1-9,16,18H,10-15,17H2,(H,23,25)
InChIKeyWSZHFFCYLLGKSP-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.92
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine

N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine (PubChem CID 11068893) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine
PubChem CID11068893
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine
SMILESc1ccc(CN2CCC(CCNc3ccc(-c4cccs4)nn3)CC2)cc1
InChIInChI=1S/C22H26N4S/c1-2-5-19(6-3-1)17-26-14-11-18(12-15-26)10-13-23-22-9-8-20(24-25-22)21-7-4-16-27-21/h1-9,16,18H,10-15,17H2,(H,23,25)
InChIKeyWSZHFFCYLLGKSP-UHFFFAOYSA-N
XLogP4.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine (CID 11068893) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine is c1ccc(CN2CCC(CCNc3ccc(-c4cccs4)nn3)CC2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine?
The InChIKey is WSZHFFCYLLGKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c1-2-5-19(6-3-1)17-26-14-11-18(12-15-26)10-13-23-22-9-8-20(24-25-22)21-7-4-16-27-21/h1-9,16,18H,10-15,17H2,(H,23,25).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine has a molecular weight of 378.55 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-thiophen-2-ylpyridazin-3-amine is sourced from PubChem (CID 11068893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).