1H-indene;pyrazine

C13H12N2 — CID 175286554

IUPAC1H-indene;pyrazine
SMILESC1=Cc2ccccc2C1.c1cnccn1
InChIInChI=1S/C9H8.C4H4N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-6-4-3-5-1/h1-6H,7H2;1-4H
InChIKeyHUXUTVNQUVYYRR-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.73
Rot. Bonds

About 1H-indene;pyrazine

1H-indene;pyrazine (PubChem CID 175286554) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1H-indene;pyrazine.

Molecular Properties

Compound Name1H-indene;pyrazine
PubChem CID175286554
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name1H-indene;pyrazine
SMILESC1=Cc2ccccc2C1.c1cnccn1
InChIInChI=1S/C9H8.C4H4N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-6-4-3-5-1/h1-6H,7H2;1-4H
InChIKeyHUXUTVNQUVYYRR-UHFFFAOYSA-N
XLogP2.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indene;pyrazine?
The IUPAC name of 1H-indene;pyrazine (CID 175286554) is 1H-indene;pyrazine.
What is the SMILES notation for 1H-indene;pyrazine?
The canonical SMILES for 1H-indene;pyrazine is C1=Cc2ccccc2C1.c1cnccn1.
What is the InChIKey of 1H-indene;pyrazine?
The InChIKey is HUXUTVNQUVYYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C4H4N2/c1-2-5-9-7-3-6-8(9)4-1;1-2-6-4-3-5-1/h1-6H,7H2;1-4H.
What are the key properties of 1H-indene;pyrazine?
1H-indene;pyrazine has a molecular weight of 196.25 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene;pyrazine is sourced from PubChem (CID 175286554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).