3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol

C9H12N4O2S — CID 80895144

IUPAC3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol
SMILESNc1cn2ccnc2c(SCC(O)CO)n1
InChIInChI=1S/C9H12N4O2S/c10-7-3-13-2-1-11-8(13)9(12-7)16-5-6(15)4-14/h1-3,6,14-15H,4-5,10H2
InChIKeyJOLRENCCCQOFRL-UHFFFAOYSA-N
MW240.29 g/mol
LogP-0.24
Rot. Bonds4

About 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol

3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol (PubChem CID 80895144) has the molecular formula C9H12N4O2S and a molecular weight of 240.29 g/mol. Its IUPAC name is 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol
PubChem CID80895144
Molecular FormulaC9H12N4O2S
Molecular Weight240.29 g/mol
Exact Mass240.07
IUPAC Name3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol
SMILESNc1cn2ccnc2c(SCC(O)CO)n1
InChIInChI=1S/C9H12N4O2S/c10-7-3-13-2-1-11-8(13)9(12-7)16-5-6(15)4-14/h1-3,6,14-15H,4-5,10H2
InChIKeyJOLRENCCCQOFRL-UHFFFAOYSA-N
XLogP-0.24
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3-methylbutylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107766025
8-(1H-imidazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107784998
3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol
CID 79946584
8-(3-methylbutan-2-ylsulfanyl)imidazo[1,2-a]pyrazin-6-amine
CID 107765615
8-pyrazin-2-ylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80889016
imidazo[1,2-a]pyrazine-6,8-diamine
CID 80796979
8-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]imidazo[1,2-a]pyrazin-6-amine
CID 80894487
8-cyclohexylsulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80886028
[8-(2-methylpropylsulfanyl)imidazo[1,2-a]pyrazin-6-yl]hydrazine
CID 80924068
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)-methylamino]propan-1-ol
CID 104557030
8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]imidazo[1,2-a]pyrazin-6-amine
CID 80893613
8-(4-tert-butylphenyl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80872311

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol (CID 80895144) is 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol is Nc1cn2ccnc2c(SCC(O)CO)n1.
What is the InChIKey of 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol?
The InChIKey is JOLRENCCCQOFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S/c10-7-3-13-2-1-11-8(13)9(12-7)16-5-6(15)4-14/h1-3,6,14-15H,4-5,10H2.
What are the key properties of 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol?
3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol has a molecular weight of 240.29 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminoimidazo[1,2-a]pyrazin-8-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 80895144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).