6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine

C16H14Br2N2 — CID 15662103

IUPAC6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine
SMILESCc1c(Br)c2c(CCc3ccccc3)nccn2c1Br
InChIInChI=1S/C16H14Br2N2/c1-11-14(17)15-13(19-9-10-20(15)16(11)18)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyASDASOVFKLDNNZ-UHFFFAOYSA-N
MW394.11 g/mol
LogP4.95
Rot. Bonds3

About 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine

6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine (PubChem CID 15662103) has the molecular formula C16H14Br2N2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine
PubChem CID15662103
Molecular FormulaC16H14Br2N2
Molecular Weight394.11 g/mol
Exact Mass391.95
IUPAC Name6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine
SMILESCc1c(Br)c2c(CCc3ccccc3)nccn2c1Br
InChIInChI=1S/C16H14Br2N2/c1-11-14(17)15-13(19-9-10-20(15)16(11)18)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyASDASOVFKLDNNZ-UHFFFAOYSA-N
XLogP4.95
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dibromo-1-[2-(2-ethylphenyl)ethyl]pyrrolo[1,2-a]pyrazine
CID 19994618
2,3-dimethyl-7-(2-phenylethyl)-1H-pyrrolo[2,3-c]pyridine;hydrochloride
CID 67142157
4-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 158413024
1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine
CID 67142155
7-chloro-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine
CID 15662063
1-[2-(2-phenylethyl)-3-pyridinyl]piperazine
CID 173128049
1-[7-ethylsulfanyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazin-6-yl]-N,N-dimethylmethanamine
CID 15662150
4-benzyl-2-bromo-3-methylpyridine
CID 175801806
benzene;2-phenylethylbenzene
CID 18982764
[3-(2-phenylethyl)-2-pyridinyl]methanol
CID 22914797
[6-(cyanomethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-8-yl] thiocyanate
CID 19994518
3-bromo-4-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 106875522

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine?
The IUPAC name of 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine (CID 15662103) is 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine is Cc1c(Br)c2c(CCc3ccccc3)nccn2c1Br.
What is the InChIKey of 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine?
The InChIKey is ASDASOVFKLDNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2/c1-11-14(17)15-13(19-9-10-20(15)16(11)18)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine?
6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine has a molecular weight of 394.11 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-7-methyl-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 15662103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).