6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine

C12H11N3 — CID 142862894

IUPAC6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESC1=CC(c2cc3nccnc3[nH]2)=CCC1
InChIInChI=1S/C12H11N3/c1-2-4-9(5-3-1)10-8-11-12(15-10)14-7-6-13-11/h2,4-8H,1,3H2,(H,14,15)
InChIKeyAMQYPXJQVJZVIG-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.69
Rot. Bonds1

About 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine

6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 142862894) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID142862894
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine
SMILESC1=CC(c2cc3nccnc3[nH]2)=CCC1
InChIInChI=1S/C12H11N3/c1-2-4-9(5-3-1)10-8-11-12(15-10)14-7-6-13-11/h2,4-8H,1,3H2,(H,14,15)
InChIKeyAMQYPXJQVJZVIG-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine (CID 142862894) is 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine is C1=CC(c2cc3nccnc3[nH]2)=CCC1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is AMQYPXJQVJZVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-4-9(5-3-1)10-8-11-12(15-10)14-7-6-13-11/h2,4-8H,1,3H2,(H,14,15).
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine?
6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 197.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 142862894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).