1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol

C12H21N3O3 — CID 106992023

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCn2ccnc2C1
InChIInChI=1S/C12H21N3O3/c1-17-6-7-18-10-11(16)8-14-4-5-15-3-2-13-12(15)9-14/h2-3,11,16H,4-10H2,1H3
InChIKeyPWVYKHKJPXBXPF-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.28
Rot. Bonds7

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992023) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992023
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCn2ccnc2C1
InChIInChI=1S/C12H21N3O3/c1-17-6-7-18-10-11(16)8-14-4-5-15-3-2-13-12(15)9-14/h2-3,11,16H,4-10H2,1H3
InChIKeyPWVYKHKJPXBXPF-UHFFFAOYSA-N
XLogP-0.28
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methylpropanoate
CID 63014330
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(4-methoxyphenyl)ethanol
CID 62407126
1-cyclohexyl-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanol
CID 104752839
2-acetamido-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propanoic acid
CID 64582931
7-[2-(bromomethyl)-3,3-dimethylbutyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 65015071
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanol
CID 63026968
1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106990906
7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 65013150
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997149
methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
CID 106992894
4-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-hydroxyethyl]benzonitrile
CID 63013773

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol (CID 106992023) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCn2ccnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is PWVYKHKJPXBXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-17-6-7-18-10-11(16)8-14-4-5-15-3-2-13-12(15)9-14/h2-3,11,16H,4-10H2,1H3.
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 255.32 g/mol, XLogP of -0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).