6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine

C9H7BrN6S — CID 79947218

IUPAC6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine
SMILESCc1nc(Sc2nc(Br)cn3ccnc23)n[nH]1
InChIInChI=1S/C9H7BrN6S/c1-5-12-9(15-14-5)17-8-7-11-2-3-16(7)4-6(10)13-8/h2-4H,1H3,(H,12,14,15)
InChIKeyJTWUYIPSLDRPCX-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.07
Rot. Bonds2

About 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine

6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine (PubChem CID 79947218) has the molecular formula C9H7BrN6S and a molecular weight of 311.17 g/mol. Its IUPAC name is 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine
PubChem CID79947218
Molecular FormulaC9H7BrN6S
Molecular Weight311.17 g/mol
Exact Mass309.96
IUPAC Name6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine
SMILESCc1nc(Sc2nc(Br)cn3ccnc23)n[nH]1
InChIInChI=1S/C9H7BrN6S/c1-5-12-9(15-14-5)17-8-7-11-2-3-16(7)4-6(10)13-8/h2-4H,1H3,(H,12,14,15)
InChIKeyJTWUYIPSLDRPCX-UHFFFAOYSA-N
XLogP2.07
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine (CID 79947218) is 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine is Cc1nc(Sc2nc(Br)cn3ccnc23)n[nH]1.
What is the InChIKey of 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine?
The InChIKey is JTWUYIPSLDRPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6S/c1-5-12-9(15-14-5)17-8-7-11-2-3-16(7)4-6(10)13-8/h2-4H,1H3,(H,12,14,15).
What are the key properties of 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine?
6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine has a molecular weight of 311.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 79947218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).