5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid

C12H16N2O2 — CID 10751409

IUPAC5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid
SMILESCC1(C)CC(C)(C)c2nc(C(=O)O)cnc21
InChIInChI=1S/C12H16N2O2/c1-11(2)6-12(3,4)9-8(11)13-5-7(14-9)10(15)16/h5H,6H2,1-4H3,(H,15,16)
InChIKeyXDCGBBSOIHQNNV-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.13
Rot. Bonds1

About 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid

5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid (PubChem CID 10751409) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid
PubChem CID10751409
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid
SMILESCC1(C)CC(C)(C)c2nc(C(=O)O)cnc21
InChIInChI=1S/C12H16N2O2/c1-11(2)6-12(3,4)9-8(11)13-5-7(14-9)10(15)16/h5H,6H2,1-4H3,(H,15,16)
InChIKeyXDCGBBSOIHQNNV-UHFFFAOYSA-N
XLogP2.13
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid?
The IUPAC name of 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid (CID 10751409) is 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid.
What is the SMILES notation for 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid?
The canonical SMILES for 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid is CC1(C)CC(C)(C)c2nc(C(=O)O)cnc21.
What is the InChIKey of 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid?
The InChIKey is XDCGBBSOIHQNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-11(2)6-12(3,4)9-8(11)13-5-7(14-9)10(15)16/h5H,6H2,1-4H3,(H,15,16).
What are the key properties of 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid?
5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-6H-cyclopenta[b]pyrazine-3-carboxylic acid is sourced from PubChem (CID 10751409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).