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

C10H9N3O — CID 106521313

IUPAC3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2cccnc2)n[nH]1
InChIInChI=1S/C10H9N3O/c14-10-4-3-9(12-13-10)6-8-2-1-5-11-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyILQKNJWLSGVFEG-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.76
Rot. Bonds2

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

3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one (PubChem CID 106521313) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one
PubChem CID106521313
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one
SMILESO=c1ccc(Cc2cccnc2)n[nH]1
InChIInChI=1S/C10H9N3O/c14-10-4-3-9(12-13-10)6-8-2-1-5-11-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyILQKNJWLSGVFEG-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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Related Compounds

3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-pyridin-3-yl-1H-pyridazin-6-one;hydrochloride
CID 126796349
bis(pyridin-3-ylmethyl)azanium
CID 6946562
2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
CID 136955718
3-(1H-1,2,4-triazol-5-ylmethyl)pyridine
CID 18700646
4-(pyridin-3-ylmethyl)-2H-phthalazine-1-thione
CID 106521317
3-[(3-benzoyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 18440178
pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
CID 6946563
2-methylpropyl(pyridin-3-ylmethyl)azanium
CID 7808850
3-benzylpyridine;formic acid
CID 174503454
6-(pyridin-3-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410705
2-pyridin-3-ylacetyl chloride
CID 14697475

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one (CID 106521313) is 3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one is O=c1ccc(Cc2cccnc2)n[nH]1.
What is the InChIKey of 3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one?
The InChIKey is ILQKNJWLSGVFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10-4-3-9(12-13-10)6-8-2-1-5-11-7-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one?
3-(pyridin-3-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-3-ylmethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 106521313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).