6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride

C15H15ClN2S2 — CID 127047163

IUPAC6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride
SMILESCSc1c(-c2ccccc2)c(SC)n2ccncc12.Cl
InChIInChI=1S/C15H14N2S2.ClH/c1-18-14-12-10-16-8-9-17(12)15(19-2)13(14)11-6-4-3-5-7-11;/h3-10H,1-2H3;1H
InChIKeyADYOPHUDJSZJOW-UHFFFAOYSA-N
MW322.89 g/mol
LogP4.87
Rot. Bonds3

About 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride

6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride (PubChem CID 127047163) has the molecular formula C15H15ClN2S2 and a molecular weight of 322.89 g/mol. Its IUPAC name is 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride
PubChem CID127047163
Molecular FormulaC15H15ClN2S2
Molecular Weight322.89 g/mol
Exact Mass322.04
IUPAC Name6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride
SMILESCSc1c(-c2ccccc2)c(SC)n2ccncc12.Cl
InChIInChI=1S/C15H14N2S2.ClH/c1-18-14-12-10-16-8-9-17(12)15(19-2)13(14)11-6-4-3-5-7-11;/h3-10H,1-2H3;1H
InChIKeyADYOPHUDJSZJOW-UHFFFAOYSA-N
XLogP4.87
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.89
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride?
The IUPAC name of 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride (CID 127047163) is 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride.
What is the SMILES notation for 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride?
The canonical SMILES for 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride is CSc1c(-c2ccccc2)c(SC)n2ccncc12.Cl.
What is the InChIKey of 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride?
The InChIKey is ADYOPHUDJSZJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2.ClH/c1-18-14-12-10-16-8-9-17(12)15(19-2)13(14)11-6-4-3-5-7-11;/h3-10H,1-2H3;1H.
What are the key properties of 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride?
6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride has a molecular weight of 322.89 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-bis(methylsulfanyl)-7-phenylpyrrolo[1,2-a]pyrazine;hydrochloride is sourced from PubChem (CID 127047163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).