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

C10H18Cl2N4O — CID 119874214

IUPAC(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
SMILESCC[C@H](N)C(=O)N1CCn2ccnc2C1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-2-8(11)10(15)14-6-5-13-4-3-12-9(13)7-14;;/h3-4,8H,2,5-7,11H2,1H3;2*1H/t8-;;/m0../s1
InChIKeyKOGQQXYPEUNYEE-JZGIKJSDSA-N
MW281.19 g/mol
LogP0.81
Rot. Bonds2

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

(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride (PubChem CID 119874214) has the molecular formula C10H18Cl2N4O and a molecular weight of 281.19 g/mol. Its IUPAC name is (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
PubChem CID119874214
Molecular FormulaC10H18Cl2N4O
Molecular Weight281.19 g/mol
Exact Mass280.09
IUPAC Name(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
SMILESCC[C@H](N)C(=O)N1CCn2ccnc2C1.Cl.Cl
InChIInChI=1S/C10H16N4O.2ClH/c1-2-8(11)10(15)14-6-5-13-4-3-12-9(13)7-14;;/h3-4,8H,2,5-7,11H2,1H3;2*1H/t8-;;/m0../s1
InChIKeyKOGQQXYPEUNYEE-JZGIKJSDSA-N
XLogP0.81
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.81
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)pentan-1-one
CID 94939389
(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-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
(2S,3S)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonylamino)-3-methylpentanoic acid
CID 63026749
2-(4-aminocyclohexyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63020386

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride?
The IUPAC name of (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride (CID 119874214) is (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride?
The canonical SMILES for (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride is CC[C@H](N)C(=O)N1CCn2ccnc2C1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride?
The InChIKey is KOGQQXYPEUNYEE-JZGIKJSDSA-N. The full InChI is InChI=1S/C10H16N4O.2ClH/c1-2-8(11)10(15)14-6-5-13-4-3-12-9(13)7-14;;/h3-4,8H,2,5-7,11H2,1H3;2*1H/t8-;;/m0../s1.
What are the key properties of (2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride?
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride has a molecular weight of 281.19 g/mol, XLogP of 0.81, 2 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)butan-1-one;dihydrochloride is sourced from PubChem (CID 119874214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).