3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one

C9H13N3O2 — CID 115868834

IUPAC3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
SMILESCC1OCCC1Nc1ncc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-6-7(2-5-14-6)12-8-9(13)11-4-3-10-8/h3-4,6-7H,2,5H2,1H3,(H,10,12)(H,11,13)
InChIKeyCZGOFDJBXBQJAD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.36
Rot. Bonds2

About 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one

3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one (PubChem CID 115868834) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
PubChem CID115868834
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
SMILESCC1OCCC1Nc1ncc[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-6-7(2-5-14-6)12-8-9(13)11-4-3-10-8/h3-4,6-7H,2,5H2,1H3,(H,10,12)(H,11,13)
InChIKeyCZGOFDJBXBQJAD-UHFFFAOYSA-N
XLogP0.36
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
3-[(2-aminocyclopentyl)amino]-1H-pyrazin-2-one
CID 114570941
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one
CID 115694801
3-fluoro-N-(2-methyloxolan-3-yl)pyridin-2-amine
CID 82729049
3-[(2-methyloxolan-3-yl)amino]-1-propylpyrazin-2-one
CID 82728930
3-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazin-2-one
CID 103703713
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
CID 115865725
3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
3-fluoro-2-[(2-methyloxolan-3-yl)amino]pyridine-4-carboxylic acid
CID 105382560
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one (CID 115868834) is 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one is CC1OCCC1Nc1ncc[nH]c1=O.
What is the InChIKey of 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one?
The InChIKey is CZGOFDJBXBQJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-7(2-5-14-6)12-8-9(13)11-4-3-10-8/h3-4,6-7H,2,5H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one?
3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 115868834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).