6,7,8-trihydroxyphenazine-2-carboxamide

C13H9N3O4 — CID 135583176

IUPAC6,7,8-trihydroxyphenazine-2-carboxamide
SMILESNC(=O)c1ccc2nc3c(O)c(O)c(O)cc3nc2c1
InChIInChI=1S/C13H9N3O4/c14-13(20)5-1-2-6-7(3-5)15-8-4-9(17)11(18)12(19)10(8)16-6/h1-4,17-19H,(H2,14,20)
InChIKeyBVKOXVWGWPKWIW-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.00
Rot. Bonds1

About 6,7,8-trihydroxyphenazine-2-carboxamide

6,7,8-trihydroxyphenazine-2-carboxamide (PubChem CID 135583176) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 6,7,8-trihydroxyphenazine-2-carboxamide.

Molecular Properties

Compound Name6,7,8-trihydroxyphenazine-2-carboxamide
PubChem CID135583176
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name6,7,8-trihydroxyphenazine-2-carboxamide
SMILESNC(=O)c1ccc2nc3c(O)c(O)c(O)cc3nc2c1
InChIInChI=1S/C13H9N3O4/c14-13(20)5-1-2-6-7(3-5)15-8-4-9(17)11(18)12(19)10(8)16-6/h1-4,17-19H,(H2,14,20)
InChIKeyBVKOXVWGWPKWIW-UHFFFAOYSA-N
XLogP1.00
TPSA129.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8-trihydroxyphenazine-2-carboxamide?
The IUPAC name of 6,7,8-trihydroxyphenazine-2-carboxamide (CID 135583176) is 6,7,8-trihydroxyphenazine-2-carboxamide.
What is the SMILES notation for 6,7,8-trihydroxyphenazine-2-carboxamide?
The canonical SMILES for 6,7,8-trihydroxyphenazine-2-carboxamide is NC(=O)c1ccc2nc3c(O)c(O)c(O)cc3nc2c1.
What is the InChIKey of 6,7,8-trihydroxyphenazine-2-carboxamide?
The InChIKey is BVKOXVWGWPKWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c14-13(20)5-1-2-6-7(3-5)15-8-4-9(17)11(18)12(19)10(8)16-6/h1-4,17-19H,(H2,14,20).
What are the key properties of 6,7,8-trihydroxyphenazine-2-carboxamide?
6,7,8-trihydroxyphenazine-2-carboxamide has a molecular weight of 271.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trihydroxyphenazine-2-carboxamide is sourced from PubChem (CID 135583176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).