1-(phenylmethoxymethyl)pyrazin-2-one

C12H12N2O2 — CID 130538606

IUPAC1-(phenylmethoxymethyl)pyrazin-2-one
SMILESO=c1cnccn1COCc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-12-8-13-6-7-14(12)10-16-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyTZWAWLNLPARBEP-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.42
Rot. Bonds4

About 1-(phenylmethoxymethyl)pyrazin-2-one

1-(phenylmethoxymethyl)pyrazin-2-one (PubChem CID 130538606) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(phenylmethoxymethyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(phenylmethoxymethyl)pyrazin-2-one
PubChem CID130538606
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(phenylmethoxymethyl)pyrazin-2-one
SMILESO=c1cnccn1COCc1ccccc1
InChIInChI=1S/C12H12N2O2/c15-12-8-13-6-7-14(12)10-16-9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyTZWAWLNLPARBEP-UHFFFAOYSA-N
XLogP1.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenylmethoxypyrazin-2-one
CID 685465
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
CID 102940394
1-(phenylmethoxymethyl)-5H-pyrrolo[2,3-d]pyridazin-4-one
CID 66602762
1-(phenylmethoxymethyl)-3-propan-2-ylimidazol-2-one
CID 102940740
[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid
CID 68588264
5-(1,3-dioxolan-2-yl)-1-(phenylmethoxymethyl)imidazole
CID 14909938
4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
CID 86790507
3-(phenylmethoxymethyl)-1-propylpyrimidine-2,4-dione
CID 102940695
1-(phenylmethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,2-c]pyridin-7-one
CID 12012000
tert-butyl N-[(1S)-2-methyl-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propyl]carbamate
CID 57222911
4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
CID 90288515
CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of 1-(phenylmethoxymethyl)pyrazin-2-one?
The IUPAC name of 1-(phenylmethoxymethyl)pyrazin-2-one (CID 130538606) is 1-(phenylmethoxymethyl)pyrazin-2-one.
What is the SMILES notation for 1-(phenylmethoxymethyl)pyrazin-2-one?
The canonical SMILES for 1-(phenylmethoxymethyl)pyrazin-2-one is O=c1cnccn1COCc1ccccc1.
What is the InChIKey of 1-(phenylmethoxymethyl)pyrazin-2-one?
The InChIKey is TZWAWLNLPARBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12-8-13-6-7-14(12)10-16-9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-(phenylmethoxymethyl)pyrazin-2-one?
1-(phenylmethoxymethyl)pyrazin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenylmethoxymethyl)pyrazin-2-one is sourced from PubChem (CID 130538606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).