1-pyrazin-2-ylindole

C12H9N3 — CID 58898193

IUPAC1-pyrazin-2-ylindole
SMILESc1ccc2c(c1)ccn2-c1cnccn1
InChIInChI=1S/C12H9N3/c1-2-4-11-10(3-1)5-8-15(11)12-9-13-6-7-14-12/h1-9H
InChIKeyJUSXUZQNQSDHDZ-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.42
Rot. Bonds1

About 1-pyrazin-2-ylindole

1-pyrazin-2-ylindole (PubChem CID 58898193) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-pyrazin-2-ylindole.

Molecular Properties

Compound Name1-pyrazin-2-ylindole
PubChem CID58898193
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name1-pyrazin-2-ylindole
SMILESc1ccc2c(c1)ccn2-c1cnccn1
InChIInChI=1S/C12H9N3/c1-2-4-11-10(3-1)5-8-15(11)12-9-13-6-7-14-12/h1-9H
InChIKeyJUSXUZQNQSDHDZ-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-ylindole?
The IUPAC name of 1-pyrazin-2-ylindole (CID 58898193) is 1-pyrazin-2-ylindole.
What is the SMILES notation for 1-pyrazin-2-ylindole?
The canonical SMILES for 1-pyrazin-2-ylindole is c1ccc2c(c1)ccn2-c1cnccn1.
What is the InChIKey of 1-pyrazin-2-ylindole?
The InChIKey is JUSXUZQNQSDHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-4-11-10(3-1)5-8-15(11)12-9-13-6-7-14-12/h1-9H.
What are the key properties of 1-pyrazin-2-ylindole?
1-pyrazin-2-ylindole has a molecular weight of 195.22 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-ylindole is sourced from PubChem (CID 58898193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).