5-methylphenazin-5-ium-1-ol

C13H11N2O+ — CID 135495419

IUPAC5-methylphenazin-5-ium-1-ol
SMILESC[n+]1c2ccccc2nc2c(O)cccc21
InChIInChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3/p+1
InChIKeyYNCMLFHHXWETLD-UHFFFAOYSA-O
MW211.24 g/mol
LogP1.92
Rot. Bonds

About 5-methylphenazin-5-ium-1-ol

5-methylphenazin-5-ium-1-ol (PubChem CID 135495419) has the molecular formula C13H11N2O+ and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-methylphenazin-5-ium-1-ol.

Molecular Properties

Compound Name5-methylphenazin-5-ium-1-ol
PubChem CID135495419
Molecular FormulaC13H11N2O+
Molecular Weight211.24 g/mol
Exact Mass211.09
IUPAC Name5-methylphenazin-5-ium-1-ol
SMILESC[n+]1c2ccccc2nc2c(O)cccc21
InChIInChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3/p+1
InChIKeyYNCMLFHHXWETLD-UHFFFAOYSA-O
XLogP1.92
TPSA37.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Phenazinol
CID 135412648
2-Hydroxyphenazine 5,10-Dioxide
CID 135403208
1,6-Dihydroxyphenazine
CID 135514780
Myxin
CID 135452479
2-Amino-3-hydroxyphenazine
CID 135408605
5-Quinoxalinol
CID 135690274
Iodinin
CID 135441735
2-Hydroxyphenazine
CID 135441800
1,6-Dimethoxyphenazine
CID 617641
6-Methoxyphenazin-1-ol
CID 135698454
2-Bromo-1-hydroxyphenazine
CID 136099274
1-Methoxyphenazine
CID 76137

Frequently Asked Questions

What is the IUPAC name of 5-methylphenazin-5-ium-1-ol?
The IUPAC name of 5-methylphenazin-5-ium-1-ol (CID 135495419) is 5-methylphenazin-5-ium-1-ol.
What is the SMILES notation for 5-methylphenazin-5-ium-1-ol?
The canonical SMILES for 5-methylphenazin-5-ium-1-ol is C[n+]1c2ccccc2nc2c(O)cccc21.
What is the InChIKey of 5-methylphenazin-5-ium-1-ol?
The InChIKey is YNCMLFHHXWETLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3/p+1.
What are the key properties of 5-methylphenazin-5-ium-1-ol?
5-methylphenazin-5-ium-1-ol has a molecular weight of 211.24 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylphenazin-5-ium-1-ol is sourced from PubChem (CID 135495419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).