3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one

C10H9N3O — CID 3580136

IUPAC3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2ccccn2)n[nH]1
InChIInChI=1S/C10H9N3O/c14-10-5-4-9(12-13-10)7-8-3-1-2-6-11-8/h1-6H,7H2,(H,13,14)
InChIKeyOAKLDVASALKSCV-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.76
Rot. Bonds2

About 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one

3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one (PubChem CID 3580136) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
PubChem CID3580136
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2ccccn2)n[nH]1
InChIInChI=1S/C10H9N3O/c14-10-5-4-9(12-13-10)7-8-3-1-2-6-11-8/h1-6H,7H2,(H,13,14)
InChIKeyOAKLDVASALKSCV-UHFFFAOYSA-N
XLogP0.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one (CID 3580136) is 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one is O=c1ccc(Cc2ccccn2)n[nH]1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
The InChIKey is OAKLDVASALKSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10-5-4-9(12-13-10)7-8-3-1-2-6-11-8/h1-6H,7H2,(H,13,14).
What are the key properties of 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one?
3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one has a molecular weight of 187.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 3580136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).