1,2,3,4,4a,5,6,7-octahydrophenazine

C12H16N2 — CID 90891818

IUPAC1,2,3,4,4a,5,6,7-octahydrophenazine
SMILESC1=CC2=C(CC1)NC1CCCCC1=N2
InChIInChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1,5,12,14H,2-4,6-8H2
InChIKeyVJOFVEBAFFXQLN-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.53
Rot. Bonds

About 1,2,3,4,4a,5,6,7-octahydrophenazine

1,2,3,4,4a,5,6,7-octahydrophenazine (PubChem CID 90891818) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7-octahydrophenazine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7-octahydrophenazine
PubChem CID90891818
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,4,4a,5,6,7-octahydrophenazine
SMILESC1=CC2=C(CC1)NC1CCCCC1=N2
InChIInChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1,5,12,14H,2-4,6-8H2
InChIKeyVJOFVEBAFFXQLN-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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,5,6,7-octahydrophenazine?
The IUPAC name of 1,2,3,4,4a,5,6,7-octahydrophenazine (CID 90891818) is 1,2,3,4,4a,5,6,7-octahydrophenazine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7-octahydrophenazine?
The canonical SMILES for 1,2,3,4,4a,5,6,7-octahydrophenazine is C1=CC2=C(CC1)NC1CCCCC1=N2.
What is the InChIKey of 1,2,3,4,4a,5,6,7-octahydrophenazine?
The InChIKey is VJOFVEBAFFXQLN-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/h1,5,12,14H,2-4,6-8H2.
What are the key properties of 1,2,3,4,4a,5,6,7-octahydrophenazine?
1,2,3,4,4a,5,6,7-octahydrophenazine has a molecular weight of 188.27 g/mol, XLogP of 2.53, 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,5,6,7-octahydrophenazine is sourced from PubChem (CID 90891818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).