2,3-diaminophenazin-1-ol

C12H10N4O — CID 171618419

IUPAC2,3-diaminophenazin-1-ol
SMILESNc1cc2nc3ccccc3nc2c(O)c1N
InChIInChI=1S/C12H10N4O/c13-6-5-9-11(12(17)10(6)14)16-8-4-2-1-3-7(8)15-9/h1-5,17H,13-14H2
InChIKeyGGHGSDPOUAZWFL-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.65
Rot. Bonds

About 2,3-diaminophenazin-1-ol

2,3-diaminophenazin-1-ol (PubChem CID 171618419) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,3-diaminophenazin-1-ol.

Molecular Properties

Compound Name2,3-diaminophenazin-1-ol
PubChem CID171618419
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2,3-diaminophenazin-1-ol
SMILESNc1cc2nc3ccccc3nc2c(O)c1N
InChIInChI=1S/C12H10N4O/c13-6-5-9-11(12(17)10(6)14)16-8-4-2-1-3-7(8)15-9/h1-5,17H,13-14H2
InChIKeyGGHGSDPOUAZWFL-UHFFFAOYSA-N
XLogP1.65
TPSA98.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

quinoxalino[2,3-b]phenazine-6,13-diol
CID 139171720
phenazine-1,2,3-triol
CID 163378643
1-aminophenazin-2-ol
CID 136672277
1,3-dimethylphenazin-2-amine
CID 23333976
2-methylphenazin-1-amine
CID 19757586
3,4-dimethylphenazin-2-ol
CID 136700372
benzene-1,3,5-triol;phenazine;hydrate
CID 139145331
2,3-dihydroxyphenazine-1-carboxylic acid
CID 135697364
acridin-9-amine;λ2-plumbane
CID 173496858
phenazine;silver
CID 175026023
hydron;phenazine
CID 175446889
2,4-dimethylphenazin-1-ol;ethane
CID 145233565

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminophenazin-1-ol?
The IUPAC name of 2,3-diaminophenazin-1-ol (CID 171618419) is 2,3-diaminophenazin-1-ol.
What is the SMILES notation for 2,3-diaminophenazin-1-ol?
The canonical SMILES for 2,3-diaminophenazin-1-ol is Nc1cc2nc3ccccc3nc2c(O)c1N.
What is the InChIKey of 2,3-diaminophenazin-1-ol?
The InChIKey is GGHGSDPOUAZWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-6-5-9-11(12(17)10(6)14)16-8-4-2-1-3-7(8)15-9/h1-5,17H,13-14H2.
What are the key properties of 2,3-diaminophenazin-1-ol?
2,3-diaminophenazin-1-ol has a molecular weight of 226.24 g/mol, XLogP of 1.65, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminophenazin-1-ol is sourced from PubChem (CID 171618419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).