5-ethyl-4a,10a-dihydrophenazin-5-ium

C14H15N2+ — CID 138969017

IUPAC5-ethyl-4a,10a-dihydrophenazin-5-ium
SMILESCC[N+]1=c2ccccc2=NC2C=CC=CC21
InChIInChI=1S/C14H15N2/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16/h3-11,13H,2H2,1H3/q+1
InChIKeyLVGYFJJACGCZLJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.69
Rot. Bonds1

About 5-ethyl-4a,10a-dihydrophenazin-5-ium

5-ethyl-4a,10a-dihydrophenazin-5-ium (PubChem CID 138969017) has the molecular formula C14H15N2+ and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-ethyl-4a,10a-dihydrophenazin-5-ium.

Molecular Properties

Compound Name5-ethyl-4a,10a-dihydrophenazin-5-ium
PubChem CID138969017
Molecular FormulaC14H15N2+
Molecular Weight211.29 g/mol
Exact Mass211.12
IUPAC Name5-ethyl-4a,10a-dihydrophenazin-5-ium
SMILESCC[N+]1=c2ccccc2=NC2C=CC=CC21
InChIInChI=1S/C14H15N2/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16/h3-11,13H,2H2,1H3/q+1
InChIKeyLVGYFJJACGCZLJ-UHFFFAOYSA-N
XLogP0.69
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-ethyl-4a,10a-dihydrophenazin-5-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-Methyl-4a,9a-dihydroacridin-10-ium
CID 135024985
2-Methyl-2,3-dihydroquinoxaline
CID 69756146
2-Ethenyl-2,3-dihydroquinoxaline
CID 89073663
4a,10a-Dihydrophenazine
CID 89376313
N,N-dimethyl-8-methylimino-6,7-dihydroquinolizin-1-amine
CID 123290942
13-Azoniatricyclo[7.3.1.05,13]trideca-1,3,6,9(13),10-pentaene
CID 140836254
Methyl-(6-methyliminocyclohexa-2,4-dien-1-yl)azanide
CID 141772943
1,2,3,8a-Tetrahydroquinoxaline;ethane
CID 141799549
2,3-Dimethyl-4a,8a-dihydroquinoxaline
CID 143628735
2-(6-methyl-2H-pyridin-1-id-2-yl)-6,7-dihydroquinoline
CID 144290696
3,4-dimethyl-4aH-quinoxaline
CID 149289450
(E)-[(8aS)-1-methyl-3-methylidene-8aH-quinoxalin-2-ylidene]methanamine
CID 156395215

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4a,10a-dihydrophenazin-5-ium?
The IUPAC name of 5-ethyl-4a,10a-dihydrophenazin-5-ium (CID 138969017) is 5-ethyl-4a,10a-dihydrophenazin-5-ium.
What is the SMILES notation for 5-ethyl-4a,10a-dihydrophenazin-5-ium?
The canonical SMILES for 5-ethyl-4a,10a-dihydrophenazin-5-ium is CC[N+]1=c2ccccc2=NC2C=CC=CC21.
What is the InChIKey of 5-ethyl-4a,10a-dihydrophenazin-5-ium?
The InChIKey is LVGYFJJACGCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16/h3-11,13H,2H2,1H3/q+1.
What are the key properties of 5-ethyl-4a,10a-dihydrophenazin-5-ium?
5-ethyl-4a,10a-dihydrophenazin-5-ium has a molecular weight of 211.29 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4a,10a-dihydrophenazin-5-ium is sourced from PubChem (CID 138969017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).