2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one

C12H9N5O — CID 68808100

IUPAC2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESO=c1c(-c2cccnc2)c[nH]n1-c1cnccn1
InChIInChI=1S/C12H9N5O/c18-12-10(9-2-1-3-13-6-9)7-16-17(12)11-8-14-4-5-15-11/h1-8,16H
InChIKeyXAARECBLMMZASH-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.02
Rot. Bonds2

About 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one

2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 68808100) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID68808100
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESO=c1c(-c2cccnc2)c[nH]n1-c1cnccn1
InChIInChI=1S/C12H9N5O/c18-12-10(9-2-1-3-13-6-9)7-16-17(12)11-8-14-4-5-15-11/h1-8,16H
InChIKeyXAARECBLMMZASH-UHFFFAOYSA-N
XLogP1.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one (CID 68808100) is 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one is O=c1c(-c2cccnc2)c[nH]n1-c1cnccn1.
What is the InChIKey of 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is XAARECBLMMZASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c18-12-10(9-2-1-3-13-6-9)7-16-17(12)11-8-14-4-5-15-11/h1-8,16H.
What are the key properties of 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one?
2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 239.24 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 68808100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).