1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C11H12N2S — CID 2770917

IUPAC1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1csc(C2NCCn3cccc32)c1
InChIInChI=1S/C11H12N2S/c1-3-9-11(10-4-2-8-14-10)12-5-7-13(9)6-1/h1-4,6,8,11-12H,5,7H2
InChIKeyCRSCKXXHDMRBIB-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.24
Rot. Bonds1

About 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 2770917) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID2770917
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1csc(C2NCCn3cccc32)c1
InChIInChI=1S/C11H12N2S/c1-3-9-11(10-4-2-8-14-10)12-5-7-13(9)6-1/h1-4,6,8,11-12H,5,7H2
InChIKeyCRSCKXXHDMRBIB-UHFFFAOYSA-N
XLogP2.24
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 2770917) is 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is c1csc(C2NCCn3cccc32)c1.
What is the InChIKey of 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is CRSCKXXHDMRBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-3-9-11(10-4-2-8-14-10)12-5-7-13(9)6-1/h1-4,6,8,11-12H,5,7H2.
What are the key properties of 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 204.30 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 2770917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).