N',3,4,5-tetrahydroxybenzenecarboximidamide

C7H8N2O4 — CID 135409350

IUPACN',3,4,5-tetrahydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C7H8N2O4/c8-7(9-13)3-1-4(10)6(12)5(11)2-3/h1-2,10-13H,(H2,8,9)
InChIKeyMSLJYSGFUMYUDX-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.10
Rot. Bonds1

About N',3,4,5-tetrahydroxybenzenecarboximidamide

N',3,4,5-tetrahydroxybenzenecarboximidamide (PubChem CID 135409350) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is N',3,4,5-tetrahydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN',3,4,5-tetrahydroxybenzenecarboximidamide
PubChem CID135409350
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC NameN',3,4,5-tetrahydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C7H8N2O4/c8-7(9-13)3-1-4(10)6(12)5(11)2-3/h1-2,10-13H,(H2,8,9)
InChIKeyMSLJYSGFUMYUDX-UHFFFAOYSA-N
XLogP-0.10
TPSA119.30 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',3,4,5-tetrahydroxybenzenecarboximidamide?
The IUPAC name of N',3,4,5-tetrahydroxybenzenecarboximidamide (CID 135409350) is N',3,4,5-tetrahydroxybenzenecarboximidamide.
What is the SMILES notation for N',3,4,5-tetrahydroxybenzenecarboximidamide?
The canonical SMILES for N',3,4,5-tetrahydroxybenzenecarboximidamide is N/C(=N\O)c1cc(O)c(O)c(O)c1.
What is the InChIKey of N',3,4,5-tetrahydroxybenzenecarboximidamide?
The InChIKey is MSLJYSGFUMYUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c8-7(9-13)3-1-4(10)6(12)5(11)2-3/h1-2,10-13H,(H2,8,9).
What are the key properties of N',3,4,5-tetrahydroxybenzenecarboximidamide?
N',3,4,5-tetrahydroxybenzenecarboximidamide has a molecular weight of 184.15 g/mol, XLogP of -0.10, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,4,5-tetrahydroxybenzenecarboximidamide is sourced from PubChem (CID 135409350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).