3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol

C10H12BrN3OS — CID 79946584

IUPAC3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H12BrN3OS/c1-7(5-15)6-16-10-9-12-2-3-14(9)4-8(11)13-10/h2-4,7,15H,5-6H2,1H3
InChIKeyGQBJQLVTKDQCAI-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.21
Rot. Bonds4

About 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol

3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol (PubChem CID 79946584) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol
PubChem CID79946584
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(Br)cn2ccnc12
InChIInChI=1S/C10H12BrN3OS/c1-7(5-15)6-16-10-9-12-2-3-14(9)4-8(11)13-10/h2-4,7,15H,5-6H2,1H3
InChIKeyGQBJQLVTKDQCAI-UHFFFAOYSA-N
XLogP2.21
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol (CID 79946584) is 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol is CC(CO)CSc1nc(Br)cn2ccnc12.
What is the InChIKey of 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is GQBJQLVTKDQCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-7(5-15)6-16-10-9-12-2-3-14(9)4-8(11)13-10/h2-4,7,15H,5-6H2,1H3.
What are the key properties of 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol?
3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 302.20 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoimidazo[1,2-a]pyrazin-8-yl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 79946584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).