8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine

C13H13N5S — CID 80769099

IUPAC8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCSc1cccc(Nc2nc(N)cn3ccnc23)c1
InChIInChI=1S/C13H13N5S/c1-19-10-4-2-3-9(7-10)16-12-13-15-5-6-18(13)8-11(14)17-12/h2-8H,14H2,1H3,(H,16,17)
InChIKeyGCQBUIGWQPGIDD-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.78
Rot. Bonds3

About 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine

8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine (PubChem CID 80769099) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine.

Molecular Properties

Compound Name8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
PubChem CID80769099
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
SMILESCSc1cccc(Nc2nc(N)cn3ccnc23)c1
InChIInChI=1S/C13H13N5S/c1-19-10-4-2-3-9(7-10)16-12-13-15-5-6-18(13)8-11(14)17-12/h2-8H,14H2,1H3,(H,16,17)
InChIKeyGCQBUIGWQPGIDD-UHFFFAOYSA-N
XLogP2.78
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-N-[3-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80802251
8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829555
8-N-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80788971
8-N-(4-ethylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80761933
6-bromo-N-(3-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 79955944
8-N-(2,4-difluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80760380
6-N-methyl-8-N-(3-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80754749
8-N-(2-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80754857
8-N-(2-propylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80808245
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
CID 80647295
6-hydrazinyl-N-phenylimidazo[1,2-a]pyrazin-8-amine
CID 80920384

Frequently Asked Questions

What is the IUPAC name of 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The IUPAC name of 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine (CID 80769099) is 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine.
What is the SMILES notation for 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The canonical SMILES for 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine is CSc1cccc(Nc2nc(N)cn3ccnc23)c1.
What is the InChIKey of 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
The InChIKey is GCQBUIGWQPGIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-19-10-4-2-3-9(7-10)16-12-13-15-5-6-18(13)8-11(14)17-12/h2-8H,14H2,1H3,(H,16,17).
What are the key properties of 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine?
8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine has a molecular weight of 271.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(3-methylsulfanylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine is sourced from PubChem (CID 80769099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).