1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one

C17H12N6O — CID 46873499

IUPAC1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2cccnc2)nc1-c1ccnn1-c1ccccn1
InChIInChI=1S/C17H12N6O/c24-15-7-11-22(13-4-3-8-18-12-13)21-17(15)14-6-10-20-23(14)16-5-1-2-9-19-16/h1-12H
InChIKeyPUTUILYIICLTJR-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.88
Rot. Bonds3

About 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one

1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one (PubChem CID 46873499) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one
PubChem CID46873499
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Name1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2cccnc2)nc1-c1ccnn1-c1ccccn1
InChIInChI=1S/C17H12N6O/c24-15-7-11-22(13-4-3-8-18-12-13)21-17(15)14-6-10-20-23(14)16-5-1-2-9-19-16/h1-12H
InChIKeyPUTUILYIICLTJR-UHFFFAOYSA-N
XLogP1.88
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one (CID 46873499) is 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2cccnc2)nc1-c1ccnn1-c1ccccn1.
What is the InChIKey of 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is PUTUILYIICLTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c24-15-7-11-22(13-4-3-8-18-12-13)21-17(15)14-6-10-20-23(14)16-5-1-2-9-19-16/h1-12H.
What are the key properties of 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one?
1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 316.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-(2-pyridin-2-ylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 46873499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).