1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one

C13H20N4O2 — CID 75519533

IUPAC1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one
SMILESCCOc1ccc(N(C)CCN2CCCC2=O)nn1
InChIInChI=1S/C13H20N4O2/c1-3-19-12-7-6-11(14-15-12)16(2)9-10-17-8-4-5-13(17)18/h6-7H,3-5,8-10H2,1-2H3
InChIKeyVKQGJAOPWZJHLE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.93
Rot. Bonds6

About 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one

1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one (PubChem CID 75519533) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one
PubChem CID75519533
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one
SMILESCCOc1ccc(N(C)CCN2CCCC2=O)nn1
InChIInChI=1S/C13H20N4O2/c1-3-19-12-7-6-11(14-15-12)16(2)9-10-17-8-4-5-13(17)18/h6-7H,3-5,8-10H2,1-2H3
InChIKeyVKQGJAOPWZJHLE-UHFFFAOYSA-N
XLogP0.93
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one (CID 75519533) is 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one is CCOc1ccc(N(C)CCN2CCCC2=O)nn1.
What is the InChIKey of 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is VKQGJAOPWZJHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-19-12-7-6-11(14-15-12)16(2)9-10-17-8-4-5-13(17)18/h6-7H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one?
1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-ethoxypyridazin-3-yl)-methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 75519533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).