3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one

C13H20N4O — CID 62940261

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one
SMILESCn1ccnc(NC2CCN3CCCCC23)c1=O
InChIInChI=1S/C13H20N4O/c1-16-9-6-14-12(13(16)18)15-10-5-8-17-7-3-2-4-11(10)17/h6,9-11H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyMVRITZYTXODLHD-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.82
Rot. Bonds2

About 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one (PubChem CID 62940261) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one
PubChem CID62940261
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one
SMILESCn1ccnc(NC2CCN3CCCCC23)c1=O
InChIInChI=1S/C13H20N4O/c1-16-9-6-14-12(13(16)18)15-10-5-8-17-7-3-2-4-11(10)17/h6,9-11H,2-5,7-8H2,1H3,(H,14,15)
InChIKeyMVRITZYTXODLHD-UHFFFAOYSA-N
XLogP0.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one
CID 62939189
N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62133315
1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one
CID 62927230
N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62133317
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
CID 94896988
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)pyrazine-2-carbonitrile
CID 62673247
3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 65418838
8-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80785940
1-methyl-3-(oxan-3-ylamino)pyrazin-2-one
CID 63363573
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80807918
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one (CID 62940261) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one is Cn1ccnc(NC2CCN3CCCCC23)c1=O.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one?
The InChIKey is MVRITZYTXODLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-9-6-14-12(13(16)18)15-10-5-8-17-7-3-2-4-11(10)17/h6,9-11H,2-5,7-8H2,1H3,(H,14,15).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one is sourced from PubChem (CID 62940261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).