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

C13H13N2+ — CID 164787087

IUPAC5-methyl-4a,10a-dihydrophenazin-5-ium
SMILESC[N+]1=c2ccccc2=NC2C=CC=CC21
InChIInChI=1S/C13H13N2/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15/h2-10,12H,1H3/q+1
InChIKeyDLFRSKUEWVIWTN-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.30
Rot. Bonds

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

5-methyl-4a,10a-dihydrophenazin-5-ium (PubChem CID 164787087) has the molecular formula C13H13N2+ and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-methyl-4a,10a-dihydrophenazin-5-ium.

Molecular Properties

Compound Name5-methyl-4a,10a-dihydrophenazin-5-ium
PubChem CID164787087
Molecular FormulaC13H13N2+
Molecular Weight197.26 g/mol
Exact Mass197.11
IUPAC Name5-methyl-4a,10a-dihydrophenazin-5-ium
SMILESC[N+]1=c2ccccc2=NC2C=CC=CC21
InChIInChI=1S/C13H13N2/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15/h2-10,12H,1H3/q+1
InChIKeyDLFRSKUEWVIWTN-UHFFFAOYSA-N
XLogP0.30
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-Methyl-4a,9a-dihydroacridin-10-ium
CID 135024985
5-Ethyl-4a,10a-dihydrophenazin-5-ium
CID 138969017
2-Methyl-2,3-dihydroquinoxaline
CID 69756146
2-Ethenyl-2,3-dihydroquinoxaline
CID 89073663
1,2-Dimethyl-2,3-dihydroquinolin-1-ium
CID 89324226
4a,10a-Dihydrophenazine
CID 89376313
2-ethyl-1-methyl-3,9-dihydro-2H-cyclohepta[b]pyrazin-1-ium
CID 91803313
(2,6-Dimethyl-2,3-dihydropyridin-3-yl)-trimethylazanium
CID 123346098
5-methyl-10,10a-dihydro-9H-cyclohepta[b]quinoxalin-5-ium
CID 123357495
2-Ethyl-2,3-dihydroquinoxaline
CID 123531371
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4a,10a-dihydrophenazin-5-ium?
The IUPAC name of 5-methyl-4a,10a-dihydrophenazin-5-ium (CID 164787087) is 5-methyl-4a,10a-dihydrophenazin-5-ium.
What is the SMILES notation for 5-methyl-4a,10a-dihydrophenazin-5-ium?
The canonical SMILES for 5-methyl-4a,10a-dihydrophenazin-5-ium is C[N+]1=c2ccccc2=NC2C=CC=CC21.
What is the InChIKey of 5-methyl-4a,10a-dihydrophenazin-5-ium?
The InChIKey is DLFRSKUEWVIWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2/c1-15-12-8-4-2-6-10(12)14-11-7-3-5-9-13(11)15/h2-10,12H,1H3/q+1.
What are the key properties of 5-methyl-4a,10a-dihydrophenazin-5-ium?
5-methyl-4a,10a-dihydrophenazin-5-ium has a molecular weight of 197.26 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4a,10a-dihydrophenazin-5-ium is sourced from PubChem (CID 164787087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).