3-pyridin-4-yl-1H-pyridazin-6-one

C9H7N3O — CID 2727612

IUPAC3-pyridin-4-yl-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H7N3O/c13-9-2-1-8(11-12-9)7-3-5-10-6-4-7/h1-6H,(H,12,13)
InChIKeyLPRDIYKZZIDTPV-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.83
Rot. Bonds1

About 3-pyridin-4-yl-1H-pyridazin-6-one

3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 2727612) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID2727612
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name3-pyridin-4-yl-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccncc2)n[nH]1
InChIInChI=1S/C9H7N3O/c13-9-2-1-8(11-12-9)7-3-5-10-6-4-7/h1-6H,(H,12,13)
InChIKeyLPRDIYKZZIDTPV-UHFFFAOYSA-N
XLogP0.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 3-pyridin-4-yl-1H-pyridazin-6-one (CID 2727612) is 3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-pyridin-4-yl-1H-pyridazin-6-one is O=c1ccc(-c2ccncc2)n[nH]1.
What is the InChIKey of 3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is LPRDIYKZZIDTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-9-2-1-8(11-12-9)7-3-5-10-6-4-7/h1-6H,(H,12,13).
What are the key properties of 3-pyridin-4-yl-1H-pyridazin-6-one?
3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 173.17 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 2727612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).