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

C14H17N2+ — CID 59273917

IUPAC5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium
SMILESCC[NH+]1c2ccccc2NC2C=CC=CC21
InChIInChI=1S/C14H16N2/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16/h3-11,13,15H,2H2,1H3/p+1
InChIKeyBLEANTHRXPLFLQ-UHFFFAOYSA-O
MW213.30 g/mol
LogP1.51
Rot. Bonds1

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

5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium (PubChem CID 59273917) has the molecular formula C14H17N2+ and a molecular weight of 213.30 g/mol. Its IUPAC name is 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium.

Molecular Properties

Compound Name5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium
PubChem CID59273917
Molecular FormulaC14H17N2+
Molecular Weight213.30 g/mol
Exact Mass213.14
IUPAC Name5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium
SMILESCC[NH+]1c2ccccc2NC2C=CC=CC21
InChIInChI=1S/C14H16N2/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16/h3-11,13,15H,2H2,1H3/p+1
InChIKeyBLEANTHRXPLFLQ-UHFFFAOYSA-O
XLogP1.51
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium?
The IUPAC name of 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium (CID 59273917) is 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium.
What is the SMILES notation for 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium?
The canonical SMILES for 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium is CC[NH+]1c2ccccc2NC2C=CC=CC21.
What is the InChIKey of 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium?
The InChIKey is BLEANTHRXPLFLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H16N2/c1-2-16-13-9-5-3-7-11(13)15-12-8-4-6-10-14(12)16/h3-11,13,15H,2H2,1H3/p+1.
What are the key properties of 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium?
5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium has a molecular weight of 213.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4a,5,10,10a-tetrahydrophenazin-5-ium is sourced from PubChem (CID 59273917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).