1-methyl-3-(oxan-3-ylamino)pyrazin-2-one

C10H15N3O2 — CID 63363573

IUPAC1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
SMILESCn1ccnc(NC2CCCOC2)c1=O
InChIInChI=1S/C10H15N3O2/c1-13-5-4-11-9(10(13)14)12-8-3-2-6-15-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyVDXRFRXGSBGPBW-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.37
Rot. Bonds2

About 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one

1-methyl-3-(oxan-3-ylamino)pyrazin-2-one (PubChem CID 63363573) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
PubChem CID63363573
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
SMILESCn1ccnc(NC2CCCOC2)c1=O
InChIInChI=1S/C10H15N3O2/c1-13-5-4-11-9(10(13)14)12-8-3-2-6-15-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyVDXRFRXGSBGPBW-UHFFFAOYSA-N
XLogP0.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 63660882
4-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxamide
CID 55130606
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
CID 94896988
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one
CID 62940976
3-N-[(3S)-oxan-3-yl]pyrazine-2,3-diamine
CID 130627526
1-cyclopentyl-N-(oxan-3-yl)imidazol-2-amine
CID 106573279
2-[4-[(4-methyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 63625920
1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
CID 62938870
3-(cycloheptylamino)-1-propan-2-ylpyrazin-2-one
CID 62939319
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one
CID 62940261
3-iodo-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 130639694

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one (CID 63363573) is 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one is Cn1ccnc(NC2CCCOC2)c1=O.
What is the InChIKey of 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one?
The InChIKey is VDXRFRXGSBGPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13-5-4-11-9(10(13)14)12-8-3-2-6-15-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,11,12).
What are the key properties of 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one?
1-methyl-3-(oxan-3-ylamino)pyrazin-2-one has a molecular weight of 209.25 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxan-3-ylamino)pyrazin-2-one is sourced from PubChem (CID 63363573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).