3-pyrimidin-5-yl-1H-pyrazin-2-one

C8H6N4O — CID 106516220

IUPAC3-pyrimidin-5-yl-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1cncnc1
InChIInChI=1S/C8H6N4O/c13-8-7(11-1-2-12-8)6-3-9-5-10-4-6/h1-5H,(H,12,13)
InChIKeyATGBOLSJQODWPW-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.23
Rot. Bonds1

About 3-pyrimidin-5-yl-1H-pyrazin-2-one

3-pyrimidin-5-yl-1H-pyrazin-2-one (PubChem CID 106516220) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-pyrimidin-5-yl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-pyrimidin-5-yl-1H-pyrazin-2-one
PubChem CID106516220
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name3-pyrimidin-5-yl-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1-c1cncnc1
InChIInChI=1S/C8H6N4O/c13-8-7(11-1-2-12-8)6-3-9-5-10-4-6/h1-5H,(H,12,13)
InChIKeyATGBOLSJQODWPW-UHFFFAOYSA-N
XLogP0.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylpyrazol-4-yl)-1H-pyrazin-2-one
CID 103571127
3-(5-methylthiophen-3-yl)-1H-pyrazin-2-one
CID 106518527
3-(3-methylphenyl)-1H-pyrazin-2-one
CID 112558965
3-(1,2-oxazol-3-yl)-1H-pyrazin-2-one
CID 137172753
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazin-2-one
CID 112558898
3-(3-chloro-4-methylphenyl)-1H-pyrazin-2-one
CID 106520381
6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one
CID 142785387
3-methyl-1H-pyrazin-2-one;hydrochloride
CID 70076933
3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
CID 112558964
3-methyl-1H-pyrazin-2-one;molecular hydrogen
CID 142113930
3-pyridin-3-yl-1H-pyrazine-2-thione
CID 106513816
3-(2-chloro-4-fluorophenyl)-1H-pyrazin-2-one
CID 106520984

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-yl-1H-pyrazin-2-one?
The IUPAC name of 3-pyrimidin-5-yl-1H-pyrazin-2-one (CID 106516220) is 3-pyrimidin-5-yl-1H-pyrazin-2-one.
What is the SMILES notation for 3-pyrimidin-5-yl-1H-pyrazin-2-one?
The canonical SMILES for 3-pyrimidin-5-yl-1H-pyrazin-2-one is O=c1[nH]ccnc1-c1cncnc1.
What is the InChIKey of 3-pyrimidin-5-yl-1H-pyrazin-2-one?
The InChIKey is ATGBOLSJQODWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c13-8-7(11-1-2-12-8)6-3-9-5-10-4-6/h1-5H,(H,12,13).
What are the key properties of 3-pyrimidin-5-yl-1H-pyrazin-2-one?
3-pyrimidin-5-yl-1H-pyrazin-2-one has a molecular weight of 174.16 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-yl-1H-pyrazin-2-one is sourced from PubChem (CID 106516220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).