6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one

C20H26N4O — CID 56683753

IUPAC6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(N3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C20H26N4O/c1-22-20(25)11-10-19(21-22)16-6-8-18(9-7-16)24-14-12-23(13-15-24)17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3
InChIKeyBADBSYKFOODGTN-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.51
Rot. Bonds3

About 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one

6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one (PubChem CID 56683753) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one
PubChem CID56683753
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2ccc(N3CCN(C4CCCC4)CC3)cc2)ccc1=O
InChIInChI=1S/C20H26N4O/c1-22-20(25)11-10-19(21-22)16-6-8-18(9-7-16)24-14-12-23(13-15-24)17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3
InChIKeyBADBSYKFOODGTN-UHFFFAOYSA-N
XLogP2.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one (CID 56683753) is 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one is Cn1nc(-c2ccc(N3CCN(C4CCCC4)CC3)cc2)ccc1=O.
What is the InChIKey of 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one?
The InChIKey is BADBSYKFOODGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-20(25)11-10-19(21-22)16-6-8-18(9-7-16)24-14-12-23(13-15-24)17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3.
What are the key properties of 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one?
6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one has a molecular weight of 338.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 56683753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).