5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one

C19H30N4O2 — CID 72886096

IUPAC5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(=O)n(CC(=O)N2CCCCC2CCN2CCCC2)nc1C
InChIInChI=1S/C19H30N4O2/c1-15-13-18(24)23(20-16(15)2)14-19(25)22-11-4-3-7-17(22)8-12-21-9-5-6-10-21/h13,17H,3-12,14H2,1-2H3
InChIKeyBHANASURTGVNJL-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.73
Rot. Bonds5

About 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one

5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 72886096) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID72886096
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(=O)n(CC(=O)N2CCCCC2CCN2CCCC2)nc1C
InChIInChI=1S/C19H30N4O2/c1-15-13-18(24)23(20-16(15)2)14-19(25)22-11-4-3-7-17(22)8-12-21-9-5-6-10-21/h13,17H,3-12,14H2,1-2H3
InChIKeyBHANASURTGVNJL-UHFFFAOYSA-N
XLogP1.73
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one (CID 72886096) is 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one is Cc1cc(=O)n(CC(=O)N2CCCCC2CCN2CCCC2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is BHANASURTGVNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-15-13-18(24)23(20-16(15)2)14-19(25)22-11-4-3-7-17(22)8-12-21-9-5-6-10-21/h13,17H,3-12,14H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 346.48 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 72886096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).