3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol

C11H16N4OS — CID 80891200

IUPAC3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol
SMILESCCNc1cn2ccnc2c(SCCCO)n1
InChIInChI=1S/C11H16N4OS/c1-2-12-9-8-15-5-4-13-10(15)11(14-9)17-7-3-6-16/h4-5,8,12,16H,2-3,6-7H2,1H3
InChIKeyYEUHURIZWVSTQP-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.64
Rot. Bonds6

About 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol

3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol (PubChem CID 80891200) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol
PubChem CID80891200
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol
SMILESCCNc1cn2ccnc2c(SCCCO)n1
InChIInChI=1S/C11H16N4OS/c1-2-12-9-8-15-5-4-13-10(15)11(14-9)17-7-3-6-16/h4-5,8,12,16H,2-3,6-7H2,1H3
InChIKeyYEUHURIZWVSTQP-UHFFFAOYSA-N
XLogP1.64
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-butylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80885141
N-ethyl-8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107765896
N-ethyl-8-(2-methoxyethylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80884128
methyl 2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylacetate
CID 80885709
N-ethyl-8-(2-methylpropylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80893173
N-ethyl-8-propan-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80885373
N-ethyl-8-pyrimidin-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886756
N-ethyl-8-(1-methylimidazol-2-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80888111
2-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpyrimidine-4,6-diamine
CID 80882609
8-cyclohexylsulfanyl-N-ethylimidazo[1,2-a]pyrazin-6-amine
CID 80885574
N-ethyl-8-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 80886588
N-ethyl-8-pyrimidin-4-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80889297

Frequently Asked Questions

What is the IUPAC name of 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol?
The IUPAC name of 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol (CID 80891200) is 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol is CCNc1cn2ccnc2c(SCCCO)n1.
What is the InChIKey of 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol?
The InChIKey is YEUHURIZWVSTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-2-12-9-8-15-5-4-13-10(15)11(14-9)17-7-3-6-16/h4-5,8,12,16H,2-3,6-7H2,1H3.
What are the key properties of 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol?
3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol has a molecular weight of 252.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanylpropan-1-ol is sourced from PubChem (CID 80891200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).