(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione

C15H25N3O2 — CID 139055047

IUPAC(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione
SMILESCC(C)[C@@H]1NC(=O)CN2C(=O)C(C(C)C)(C(C)C)N=C12
InChIInChI=1S/C15H25N3O2/c1-8(2)12-13-17-15(9(3)4,10(5)6)14(20)18(13)7-11(19)16-12/h8-10,12H,7H2,1-6H3,(H,16,19)/t12-/m0/s1
InChIKeyLJCMSEYSQFDLSX-LBPRGKRZSA-N
MW279.38 g/mol
LogP1.43
Rot. Bonds3

About (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione

(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione (PubChem CID 139055047) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione
PubChem CID139055047
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione
SMILESCC(C)[C@@H]1NC(=O)CN2C(=O)C(C(C)C)(C(C)C)N=C12
InChIInChI=1S/C15H25N3O2/c1-8(2)12-13-17-15(9(3)4,10(5)6)14(20)18(13)7-11(19)16-12/h8-10,12H,7H2,1-6H3,(H,16,19)/t12-/m0/s1
InChIKeyLJCMSEYSQFDLSX-LBPRGKRZSA-N
XLogP1.43
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione with MolForge

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Related Compounds

N-{1-[(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)carbonyl]-2-methylpropyl}acetamide
CID 46982582
(5S)-4-(2-aminobutanoyl)-6-[(2R)-3-methylbutan-2-yl]imino-5-(2-methylpropyl)piperazin-2-one
CID 136028524
2-Butyl-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170411778
2-Butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170412173
2-Butyl-3-ethyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 170592210
2-Butyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592229
2-Butyl-8-(2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46985402
N-[(2S)-1-(2-tert-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-4-methyl-1-oxopentan-2-yl]acetamide
CID 46991213
N-[(2R)-1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 52404623
N-[(2S)-1-(2-butyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 52404624
4-(Cyclopentanecarboximidoyl)-3,3-dimethylpiperazin-2-one
CID 63602327
4-(Cyclopentanecarboximidoyl)-3-methylpiperazin-2-one
CID 63602855

Frequently Asked Questions

What is the IUPAC name of (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione?
The IUPAC name of (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione (CID 139055047) is (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione is CC(C)[C@@H]1NC(=O)CN2C(=O)C(C(C)C)(C(C)C)N=C12.
What is the InChIKey of (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione?
The InChIKey is LJCMSEYSQFDLSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-8(2)12-13-17-15(9(3)4,10(5)6)14(20)18(13)7-11(19)16-12/h8-10,12H,7H2,1-6H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione?
(8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione has a molecular weight of 279.38 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2,2,8-tri(propan-2-yl)-7,8-dihydro-5H-imidazo[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 139055047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).