5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide

C7H9N3O5 — CID 23615861

IUPAC5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
SMILESNC(=O)c1cc([NH+]([O-])O)cc([NH+]([O-])O)c1
InChIInChI=1S/C7H9N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3,9-10,12,14H,(H2,8,11)
InChIKeyZJHFLBJJWHJAJG-UHFFFAOYSA-N
MW215.16 g/mol
LogP-2.41
Rot. Bonds3

About 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide

5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide (PubChem CID 23615861) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide.

Molecular Properties

Compound Name5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
PubChem CID23615861
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide
SMILESNC(=O)c1cc([NH+]([O-])O)cc([NH+]([O-])O)c1
InChIInChI=1S/C7H9N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3,9-10,12,14H,(H2,8,11)
InChIKeyZJHFLBJJWHJAJG-UHFFFAOYSA-N
XLogP-2.41
TPSA138.55 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-2.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The IUPAC name of 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide (CID 23615861) is 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide.
What is the SMILES notation for 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The canonical SMILES for 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide is NC(=O)c1cc([NH+]([O-])O)cc([NH+]([O-])O)c1.
What is the InChIKey of 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
The InChIKey is ZJHFLBJJWHJAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3,9-10,12,14H,(H2,8,11).
What are the key properties of 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide?
5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide has a molecular weight of 215.16 g/mol, XLogP of -2.41, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-1-N,3-N-dihydroxybenzene-1,3-diamine oxide is sourced from PubChem (CID 23615861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).