3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one

C13H21N3O2 — CID 115865725

IUPAC3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
SMILESCCC1(CC)CC(Nc2ncc[nH]c2=O)CCO1
InChIInChI=1S/C13H21N3O2/c1-3-13(4-2)9-10(5-8-18-13)16-11-12(17)15-7-6-14-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWOVJGKBTHWHQQB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds4

About 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one

3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one (PubChem CID 115865725) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
PubChem CID115865725
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
SMILESCCC1(CC)CC(Nc2ncc[nH]c2=O)CCO1
InChIInChI=1S/C13H21N3O2/c1-3-13(4-2)9-10(5-8-18-13)16-11-12(17)15-7-6-14-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWOVJGKBTHWHQQB-UHFFFAOYSA-N
XLogP1.92
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 82760298
3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
6-[(2,2-diethyloxan-4-yl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 82765046
N-(2,2-diethyloxan-4-yl)thieno[3,2-c]pyridin-4-amine
CID 82760789
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
N-(2,2-diethyloxan-4-yl)-2-methylpyrimidin-4-amine
CID 82760302
N-(2,2-diethyloxan-4-yl)thieno[3,2-d]pyrimidin-4-amine
CID 82760786
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
CID 115868834

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one (CID 115865725) is 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one is CCC1(CC)CC(Nc2ncc[nH]c2=O)CCO1.
What is the InChIKey of 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one?
The InChIKey is WOVJGKBTHWHQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-13(4-2)9-10(5-8-18-13)16-11-12(17)15-7-6-14-11/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one?
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 115865725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).