3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one

C14H15N3O — CID 3566582

IUPAC3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H15N3O/c18-13-10-12(17-8-4-5-9-17)14(16-15-13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,18)
InChIKeyQQLIGFIRYSYSTI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.04
Rot. Bonds2

About 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one

3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one (PubChem CID 3566582) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one
PubChem CID3566582
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H15N3O/c18-13-10-12(17-8-4-5-9-17)14(16-15-13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,18)
InChIKeyQQLIGFIRYSYSTI-UHFFFAOYSA-N
XLogP2.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one (CID 3566582) is 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one is O=c1cc(N2CCCC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
The InChIKey is QQLIGFIRYSYSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-13-10-12(17-8-4-5-9-17)14(16-15-13)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H,15,18).
What are the key properties of 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one?
3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one has a molecular weight of 241.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-pyrrolidin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 3566582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).