2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one

C14H16N4O — CID 126923152

IUPAC2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1ccncc1
InChIInChI=1S/C14H16N4O/c19-14-4-1-7-16-18(14)11-13-3-2-10-17(13)12-5-8-15-9-6-12/h1,4-9,13H,2-3,10-11H2
InChIKeyHGFWVLZLDSIVME-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.31
Rot. Bonds3

About 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one

2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one (PubChem CID 126923152) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
PubChem CID126923152
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1CCCN1c1ccncc1
InChIInChI=1S/C14H16N4O/c19-14-4-1-7-16-18(14)11-13-3-2-10-17(13)12-5-8-15-9-6-12/h1,4-9,13H,2-3,10-11H2
InChIKeyHGFWVLZLDSIVME-UHFFFAOYSA-N
XLogP1.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one (CID 126923152) is 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one is O=c1cccnn1CC1CCCN1c1ccncc1.
What is the InChIKey of 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is HGFWVLZLDSIVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14-4-1-7-16-18(14)11-13-3-2-10-17(13)12-5-8-15-9-6-12/h1,4-9,13H,2-3,10-11H2.
What are the key properties of 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one?
2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 256.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyridin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126923152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).