1,4,5,5a-tetrahydrophenazine

C12H12N2 — CID 23504326

IUPAC1,4,5,5a-tetrahydrophenazine
SMILESC1=CC2=NC3=C(CC=CC3)NC2C=C1
InChIInChI=1S/C12H12N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-6,9,13H,7-8H2
InChIKeyJFOKLNFFLPVQSX-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.09
Rot. Bonds

About 1,4,5,5a-tetrahydrophenazine

1,4,5,5a-tetrahydrophenazine (PubChem CID 23504326) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,4,5,5a-tetrahydrophenazine.

Molecular Properties

Compound Name1,4,5,5a-tetrahydrophenazine
PubChem CID23504326
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name1,4,5,5a-tetrahydrophenazine
SMILESC1=CC2=NC3=C(CC=CC3)NC2C=C1
InChIInChI=1S/C12H12N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-6,9,13H,7-8H2
InChIKeyJFOKLNFFLPVQSX-UHFFFAOYSA-N
XLogP2.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,5a-tetrahydrophenazine?
The IUPAC name of 1,4,5,5a-tetrahydrophenazine (CID 23504326) is 1,4,5,5a-tetrahydrophenazine.
What is the SMILES notation for 1,4,5,5a-tetrahydrophenazine?
The canonical SMILES for 1,4,5,5a-tetrahydrophenazine is C1=CC2=NC3=C(CC=CC3)NC2C=C1.
What is the InChIKey of 1,4,5,5a-tetrahydrophenazine?
The InChIKey is JFOKLNFFLPVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-6,9,13H,7-8H2.
What are the key properties of 1,4,5,5a-tetrahydrophenazine?
1,4,5,5a-tetrahydrophenazine has a molecular weight of 184.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,5a-tetrahydrophenazine is sourced from PubChem (CID 23504326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).