3,5-diamino-2,6-dihydroxybenzamide

C7H9N3O3 — CID 139938783

IUPAC3,5-diamino-2,6-dihydroxybenzamide
SMILESNC(=O)c1c(O)c(N)cc(N)c1O
InChIInChI=1S/C7H9N3O3/c8-2-1-3(9)6(12)4(5(2)11)7(10)13/h1,11-12H,8-9H2,(H2,10,13)
InChIKeyGPXSAELHMYYGGX-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.64
Rot. Bonds1

About 3,5-diamino-2,6-dihydroxybenzamide

3,5-diamino-2,6-dihydroxybenzamide (PubChem CID 139938783) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3,5-diamino-2,6-dihydroxybenzamide.

Molecular Properties

Compound Name3,5-diamino-2,6-dihydroxybenzamide
PubChem CID139938783
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3,5-diamino-2,6-dihydroxybenzamide
SMILESNC(=O)c1c(O)c(N)cc(N)c1O
InChIInChI=1S/C7H9N3O3/c8-2-1-3(9)6(12)4(5(2)11)7(10)13/h1,11-12H,8-9H2,(H2,10,13)
InChIKeyGPXSAELHMYYGGX-UHFFFAOYSA-N
XLogP-0.64
TPSA135.59 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-2,6-dihydroxybenzamide?
The IUPAC name of 3,5-diamino-2,6-dihydroxybenzamide (CID 139938783) is 3,5-diamino-2,6-dihydroxybenzamide.
What is the SMILES notation for 3,5-diamino-2,6-dihydroxybenzamide?
The canonical SMILES for 3,5-diamino-2,6-dihydroxybenzamide is NC(=O)c1c(O)c(N)cc(N)c1O.
What is the InChIKey of 3,5-diamino-2,6-dihydroxybenzamide?
The InChIKey is GPXSAELHMYYGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-2-1-3(9)6(12)4(5(2)11)7(10)13/h1,11-12H,8-9H2,(H2,10,13).
What are the key properties of 3,5-diamino-2,6-dihydroxybenzamide?
3,5-diamino-2,6-dihydroxybenzamide has a molecular weight of 183.17 g/mol, XLogP of -0.64, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-2,6-dihydroxybenzamide is sourced from PubChem (CID 139938783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).