2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one

C11H17N3O — CID 62849783

IUPAC2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
SMILESO=c1cccnn1CCCC1CCCN1
InChIInChI=1S/C11H17N3O/c15-11-6-2-8-13-14(11)9-3-5-10-4-1-7-12-10/h2,6,8,10,12H,1,3-5,7,9H2
InChIKeyNHKOUHQGUZKSHE-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds4

About 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one

2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one (PubChem CID 62849783) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
PubChem CID62849783
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
SMILESO=c1cccnn1CCCC1CCCN1
InChIInChI=1S/C11H17N3O/c15-11-6-2-8-13-14(11)9-3-5-10-4-1-7-12-10/h2,6,8,10,12H,1,3-5,7,9H2
InChIKeyNHKOUHQGUZKSHE-UHFFFAOYSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one?
The IUPAC name of 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one (CID 62849783) is 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one?
The canonical SMILES for 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one is O=c1cccnn1CCCC1CCCN1.
What is the InChIKey of 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one?
The InChIKey is NHKOUHQGUZKSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-6-2-8-13-14(11)9-3-5-10-4-1-7-12-10/h2,6,8,10,12H,1,3-5,7,9H2.
What are the key properties of 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one?
2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one has a molecular weight of 207.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 62849783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).