3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine

C13H11N3 — CID 22294675

IUPAC3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1nc2[nH]ccc2nc1-c1ccccc1
InChIInChI=1S/C13H11N3/c1-9-12(10-5-3-2-4-6-10)16-11-7-8-14-13(11)15-9/h2-8H,1H3,(H,14,15)
InChIKeyIECQYNLXJVFYRQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.93
Rot. Bonds1

About 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine

3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 22294675) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID22294675
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1nc2[nH]ccc2nc1-c1ccccc1
InChIInChI=1S/C13H11N3/c1-9-12(10-5-3-2-4-6-10)16-11-7-8-14-13(11)15-9/h2-8H,1H3,(H,14,15)
InChIKeyIECQYNLXJVFYRQ-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 140914955
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
2-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 58299261
2,3-diisocyano-5-methyl-6-phenylpyrazine
CID 59915583
2-[3,5-bis(6,7-dimethyl-3-phenylquinoxalin-2-yl)phenyl]-6,7-dimethyl-3-phenylquinoxaline
CID 18504282
6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 133096126
4,5,10,11,16,17-hexakis-phenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene;3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(30),2,4,6,8,10,12,14,16,18,20,22,24,26,28-pentadecaene;3,18,21,28,31,46-hexazaundecacyclo[28.16.0.02,19.04,17.05,10.011,16.020,29.022,27.032,45.033,38.039,44]hexatetraconta-1(46),2,4(17),5,7,9,11,13,15,18,20,22,24,26,28,30,32(45),33,35,37,39,41,43-tricosaene;4,10,16-trimethyl-5,11,17-triphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 160924410
5-butan-2-yl-3-methyl-2-phenylquinoxaline
CID 91110589
ethyl 6-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 165350273
9-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-2-methyl-3-phenyl-7H-pyrrolo[3,2-f]quinoxalin-8-one
CID 54301208
2-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 150329888
4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine (CID 22294675) is 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine is Cc1nc2[nH]ccc2nc1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is IECQYNLXJVFYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-9-12(10-5-3-2-4-6-10)16-11-7-8-14-13(11)15-9/h2-8H,1H3,(H,14,15).
What are the key properties of 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine?
3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 209.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 22294675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).