(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one

C11H18N4O — CID 94939389

IUPAC(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C11H18N4O/c1-2-3-9(12)11(16)15-7-6-14-5-4-13-10(14)8-15/h4-5,9H,2-3,6-8,12H2,1H3/t9-/m0/s1
InChIKeyXTFSJFMMROGVJL-VIFPVBQESA-N
MW222.29 g/mol
LogP0.35
Rot. Bonds3

About (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one

(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one (PubChem CID 94939389) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one
PubChem CID94939389
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C11H18N4O/c1-2-3-9(12)11(16)15-7-6-14-5-4-13-10(14)8-15/h4-5,9H,2-3,6-8,12H2,1H3/t9-/m0/s1
InChIKeyXTFSJFMMROGVJL-VIFPVBQESA-N
XLogP0.35
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
CID 119874214
(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one
CID 104903447
ethyl 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-3,3-dimethylbutanoate
CID 116538037
(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
CID 67356179
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
2-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)propanoic acid
CID 67154587
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-piperazin-1-ylpropan-1-one
CID 55142892
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 110712648
N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 115627322
2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63680123
3-[6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl(ethyl)amino]butanoic acid
CID 63026893
4-(2-aminopentanoyl)-1-methylpiperazin-2-one
CID 64681612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one (CID 94939389) is (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one is CCC[C@H](N)C(=O)N1CCn2ccnc2C1.
What is the InChIKey of (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one?
The InChIKey is XTFSJFMMROGVJL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-3-9(12)11(16)15-7-6-14-5-4-13-10(14)8-15/h4-5,9H,2-3,6-8,12H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one?
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one has a molecular weight of 222.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one is sourced from PubChem (CID 94939389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).