6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one

C15H19N3O — CID 46702672

IUPAC6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CN1CCCC1
InChIInChI=1S/C15H19N3O/c19-15-9-8-14(13-6-2-1-3-7-13)16-18(15)12-17-10-4-5-11-17/h1-3,6-7H,4-5,8-12H2
InChIKeyWQBHUQLRIUYKJT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.07
Rot. Bonds3

About 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one

6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one (PubChem CID 46702672) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
PubChem CID46702672
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CN1CCCC1
InChIInChI=1S/C15H19N3O/c19-15-9-8-14(13-6-2-1-3-7-13)16-18(15)12-17-10-4-5-11-17/h1-3,6-7H,4-5,8-12H2
InChIKeyWQBHUQLRIUYKJT-UHFFFAOYSA-N
XLogP2.07
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one (CID 46702672) is 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccccc2)=NN1CN1CCCC1.
What is the InChIKey of 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is WQBHUQLRIUYKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15-9-8-14(13-6-2-1-3-7-13)16-18(15)12-17-10-4-5-11-17/h1-3,6-7H,4-5,8-12H2.
What are the key properties of 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one?
6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(pyrrolidin-1-ylmethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46702672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).