1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C13H14N2 — CID 2770910

IUPAC1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1ccc(C2NCCn3cccc32)cc1
InChIInChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2
InChIKeyOJWIBJCTTSRXTB-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.18
Rot. Bonds1

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

1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 2770910) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID2770910
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESc1ccc(C2NCCn3cccc32)cc1
InChIInChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2
InChIKeyOJWIBJCTTSRXTB-UHFFFAOYSA-N
XLogP2.18
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 2770910) is 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is c1ccc(C2NCCn3cccc32)cc1.
What is the InChIKey of 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is OJWIBJCTTSRXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-5-11(6-3-1)13-12-7-4-9-15(12)10-8-14-13/h1-7,9,13-14H,8,10H2.
What are the key properties of 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 198.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 2770910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).