1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine

C15H16N2 — CID 19095338

IUPAC1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine
SMILESCC1=NCCn2c1cc(C)c2-c1ccccc1
InChIInChI=1S/C15H16N2/c1-11-10-14-12(2)16-8-9-17(14)15(11)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyBOECSSSOXHDAQO-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.29
Rot. Bonds1

About 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine

1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine (PubChem CID 19095338) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine
PubChem CID19095338
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine
SMILESCC1=NCCn2c1cc(C)c2-c1ccccc1
InChIInChI=1S/C15H16N2/c1-11-10-14-12(2)16-8-9-17(14)15(11)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyBOECSSSOXHDAQO-UHFFFAOYSA-N
XLogP3.29
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine (CID 19095338) is 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine is CC1=NCCn2c1cc(C)c2-c1ccccc1.
What is the InChIKey of 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine?
The InChIKey is BOECSSSOXHDAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-11-10-14-12(2)16-8-9-17(14)15(11)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine?
1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine has a molecular weight of 224.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-6-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 19095338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).