3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one

C13H20N4O — CID 62940976

IUPAC3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one
SMILESCn1ccnc(NC2CCNC3(CCC3)C2)c1=O
InChIInChI=1S/C13H20N4O/c1-17-8-7-14-11(12(17)18)16-10-3-6-15-13(9-10)4-2-5-13/h7-8,10,15H,2-6,9H2,1H3,(H,14,16)
InChIKeyFLYGCJRZDATIMG-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.87
Rot. Bonds2

About 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one

3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one (PubChem CID 62940976) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one
PubChem CID62940976
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one
SMILESCn1ccnc(NC2CCNC3(CCC3)C2)c1=O
InChIInChI=1S/C13H20N4O/c1-17-8-7-14-11(12(17)18)16-10-3-6-15-13(9-10)4-2-5-13/h7-8,10,15H,2-6,9H2,1H3,(H,14,16)
InChIKeyFLYGCJRZDATIMG-UHFFFAOYSA-N
XLogP0.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62927609
N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
CID 43599429
1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
CID 63363573
1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 63660882
3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
N-(5-azaspiro[3.5]nonan-8-yl)thieno[3,2-c]pyridin-4-amine
CID 43599441
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
N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine
CID 114600858
N-(5-azaspiro[3.5]nonan-8-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63617050
N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine
CID 62483877
2-[4-[(4-methyl-3-oxopyrazin-2-yl)amino]piperidin-1-yl]acetonitrile
CID 63625920

Frequently Asked Questions

What is the IUPAC name of 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one?
The IUPAC name of 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one (CID 62940976) is 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one is Cn1ccnc(NC2CCNC3(CCC3)C2)c1=O.
What is the InChIKey of 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one?
The InChIKey is FLYGCJRZDATIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-8-7-14-11(12(17)18)16-10-3-6-15-13(9-10)4-2-5-13/h7-8,10,15H,2-6,9H2,1H3,(H,14,16).
What are the key properties of 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one?
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one is sourced from PubChem (CID 62940976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).