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

C12H20N4O — CID 63027109

IUPAC6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C12H20N4O/c13-5-3-1-2-4-12(17)16-9-8-15-7-6-14-11(15)10-16/h6-7H,1-5,8-10,13H2
InChIKeyRYUCLPPKKZDOAN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds5

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

6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one (PubChem CID 63027109) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one
PubChem CID63027109
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one
SMILESNCCCCCC(=O)N1CCn2ccnc2C1
InChIInChI=1S/C12H20N4O/c13-5-3-1-2-4-12(17)16-9-8-15-7-6-14-11(15)10-16/h6-7H,1-5,8-10,13H2
InChIKeyRYUCLPPKKZDOAN-UHFFFAOYSA-N
XLogP0.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63680123
(2S)-2-amino-5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-oxopentanoic acid
CID 67356179
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropanenitrile
CID 63025576
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)butan-1-amine
CID 55150709
[1-(aminomethyl)-4-methylcyclohexyl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 115442125
4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]benzenecarbothioamide
CID 63612528
7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
CID 60862584
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
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-one;dihydrochloride
CID 119874214
6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 106313917
(2R)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylpentan-1-one
CID 104903447

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one?
The IUPAC name of 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one (CID 63027109) is 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one.
What is the SMILES notation for 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one?
The canonical SMILES for 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one is NCCCCCC(=O)N1CCn2ccnc2C1.
What is the InChIKey of 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one?
The InChIKey is RYUCLPPKKZDOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-5-3-1-2-4-12(17)16-9-8-15-7-6-14-11(15)10-16/h6-7H,1-5,8-10,13H2.
What are the key properties of 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one?
6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one has a molecular weight of 236.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)hexan-1-one is sourced from PubChem (CID 63027109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).