1-(oxan-4-ylmethyl)pyrazin-2-one

C10H14N2O2 — CID 130538359

IUPAC1-(oxan-4-ylmethyl)pyrazin-2-one
SMILESO=c1cnccn1CC1CCOCC1
InChIInChI=1S/C10H14N2O2/c13-10-7-11-3-4-12(10)8-9-1-5-14-6-2-9/h3-4,7,9H,1-2,5-6,8H2
InChIKeyRIKGAWJRDAGKRS-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.67
Rot. Bonds2

About 1-(oxan-4-ylmethyl)pyrazin-2-one

1-(oxan-4-ylmethyl)pyrazin-2-one (PubChem CID 130538359) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)pyrazin-2-one.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)pyrazin-2-one
PubChem CID130538359
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(oxan-4-ylmethyl)pyrazin-2-one
SMILESO=c1cnccn1CC1CCOCC1
InChIInChI=1S/C10H14N2O2/c13-10-7-11-3-4-12(10)8-9-1-5-14-6-2-9/h3-4,7,9H,1-2,5-6,8H2
InChIKeyRIKGAWJRDAGKRS-UHFFFAOYSA-N
XLogP0.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyloxolan-2-yl)methyl]pyrazin-2-one
CID 130538368
4-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
CID 155912859
1-cyclopropyl-4-(oxan-4-ylmethyl)pyrazine-2,3-dione
CID 154828814
3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
CID 115634011
2-fluoro-5-[1-(oxan-4-ylmethyl)imidazol-2-yl]pyridine
CID 67317412
2-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 127863676
(1S)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943084
(1R)-1-[3-(oxan-4-ylmethyl)imidazol-4-yl]ethanamine
CID 104943087
3-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943687
1-(cyclopropylmethyl)-4-(morpholin-4-ylmethyl)pyridin-2-one
CID 53191827
4-bromo-6-(oxan-4-ylmethyl)-1H-pyrazolo[5,4-c]pyridin-7-one
CID 153255053
5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 39818679

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)pyrazin-2-one?
The IUPAC name of 1-(oxan-4-ylmethyl)pyrazin-2-one (CID 130538359) is 1-(oxan-4-ylmethyl)pyrazin-2-one.
What is the SMILES notation for 1-(oxan-4-ylmethyl)pyrazin-2-one?
The canonical SMILES for 1-(oxan-4-ylmethyl)pyrazin-2-one is O=c1cnccn1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)pyrazin-2-one?
The InChIKey is RIKGAWJRDAGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10-7-11-3-4-12(10)8-9-1-5-14-6-2-9/h3-4,7,9H,1-2,5-6,8H2.
What are the key properties of 1-(oxan-4-ylmethyl)pyrazin-2-one?
1-(oxan-4-ylmethyl)pyrazin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)pyrazin-2-one is sourced from PubChem (CID 130538359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).