6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole

C22H25N3 — CID 141472259

IUPAC6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole
SMILESCCCCC(CC)Cc1cc2[nH]ccnc2c2c1nc1ccccc12
InChIInChI=1S/C22H25N3/c1-3-5-8-15(4-2)13-16-14-19-22(24-12-11-23-19)20-17-9-6-7-10-18(17)25-21(16)20/h6-7,9-12,14-15,23H,3-5,8,13H2,1-2H3
InChIKeySPCZINIXLGPCJX-UHFFFAOYSA-N
MW331.46 g/mol
LogP6.02
Rot. Bonds6

About 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole

6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole (PubChem CID 141472259) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole.

Molecular Properties

Compound Name6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole
PubChem CID141472259
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole
SMILESCCCCC(CC)Cc1cc2[nH]ccnc2c2c1nc1ccccc12
InChIInChI=1S/C22H25N3/c1-3-5-8-15(4-2)13-16-14-19-22(24-12-11-23-19)20-17-9-6-7-10-18(17)25-21(16)20/h6-7,9-12,14-15,23H,3-5,8,13H2,1-2H3
InChIKeySPCZINIXLGPCJX-UHFFFAOYSA-N
XLogP6.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole?
The IUPAC name of 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole (CID 141472259) is 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole.
What is the SMILES notation for 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole?
The canonical SMILES for 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole is CCCCC(CC)Cc1cc2[nH]ccnc2c2c1nc1ccccc12.
What is the InChIKey of 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole?
The InChIKey is SPCZINIXLGPCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-3-5-8-15(4-2)13-16-14-19-22(24-12-11-23-19)20-17-9-6-7-10-18(17)25-21(16)20/h6-7,9-12,14-15,23H,3-5,8,13H2,1-2H3.
What are the key properties of 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole?
6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole has a molecular weight of 331.46 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexyl)-4H-pyrazino[2,3-c]carbazole is sourced from PubChem (CID 141472259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).