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

C14H22N4O — CID 62939189

IUPAC3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCN3CCCCC23)c1=O
InChIInChI=1S/C14H22N4O/c1-2-17-10-7-15-13(14(17)19)16-11-6-9-18-8-4-3-5-12(11)18/h7,10-12H,2-6,8-9H2,1H3,(H,15,16)
InChIKeyBFDSLGXYUGLFEF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.30
Rot. Bonds3

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

3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one (PubChem CID 62939189) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one
PubChem CID62939189
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCN3CCCCC23)c1=O
InChIInChI=1S/C14H22N4O/c1-2-17-10-7-15-13(14(17)19)16-11-6-9-18-8-4-3-5-12(11)18/h7,10-12H,2-6,8-9H2,1H3,(H,15,16)
InChIKeyBFDSLGXYUGLFEF-UHFFFAOYSA-N
XLogP1.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one
CID 62927230
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-methylpyrazin-2-one
CID 62940261
1-ethyl-3-[(2-methoxycyclopentyl)amino]pyrazin-2-one
CID 62928461
N-(1-methylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62133315
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62133317
3-[[2-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 106365605
2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid
CID 62940470
1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
CID 62927574
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 62938803
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one (CID 62939189) is 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one is CCn1ccnc(NC2CCN3CCCCC23)c1=O.
What is the InChIKey of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one?
The InChIKey is BFDSLGXYUGLFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-17-10-7-15-13(14(17)19)16-11-6-9-18-8-4-3-5-12(11)18/h7,10-12H,2-6,8-9H2,1H3,(H,15,16).
What are the key properties of 3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one?
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.30, 3 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-ethylpyrazin-2-one is sourced from PubChem (CID 62939189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).