1,2,3,4,4a,5,5a,6-octahydrophenazine

C12H16N2 — CID 22222215

IUPAC1,2,3,4,4a,5,5a,6-octahydrophenazine
SMILESC1=CCC2NC3CCCCC3=NC2=C1
InChIInChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-2,5,10,12,14H,3-4,6-8H2
InChIKeyFSHMPNBRNOGDDK-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.19
Rot. Bonds

About 1,2,3,4,4a,5,5a,6-octahydrophenazine

1,2,3,4,4a,5,5a,6-octahydrophenazine (PubChem CID 22222215) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6-octahydrophenazine.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6-octahydrophenazine
PubChem CID22222215
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,4,4a,5,5a,6-octahydrophenazine
SMILESC1=CCC2NC3CCCCC3=NC2=C1
InChIInChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-2,5,10,12,14H,3-4,6-8H2
InChIKeyFSHMPNBRNOGDDK-UHFFFAOYSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrophenazine?
The IUPAC name of 1,2,3,4,4a,5,5a,6-octahydrophenazine (CID 22222215) is 1,2,3,4,4a,5,5a,6-octahydrophenazine.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6-octahydrophenazine?
The canonical SMILES for 1,2,3,4,4a,5,5a,6-octahydrophenazine is C1=CCC2NC3CCCCC3=NC2=C1.
What is the InChIKey of 1,2,3,4,4a,5,5a,6-octahydrophenazine?
The InChIKey is FSHMPNBRNOGDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-2,5,10,12,14H,3-4,6-8H2.
What are the key properties of 1,2,3,4,4a,5,5a,6-octahydrophenazine?
1,2,3,4,4a,5,5a,6-octahydrophenazine has a molecular weight of 188.27 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6-octahydrophenazine is sourced from PubChem (CID 22222215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).