N',3,4-trihydroxybenzenecarboximidamide

C7H8N2O3 — CID 135413522

IUPACN',3,4-trihydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(O)c(O)c1
InChIInChI=1S/C7H8N2O3/c8-7(9-12)4-1-2-5(10)6(11)3-4/h1-3,10-12H,(H2,8,9)
InChIKeyJOAASNKBYBFGDN-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.19
Rot. Bonds1

About N',3,4-trihydroxybenzenecarboximidamide

N',3,4-trihydroxybenzenecarboximidamide (PubChem CID 135413522) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N',3,4-trihydroxybenzenecarboximidamide.

Molecular Properties

Compound NameN',3,4-trihydroxybenzenecarboximidamide
PubChem CID135413522
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN',3,4-trihydroxybenzenecarboximidamide
SMILESN/C(=N\O)c1ccc(O)c(O)c1
InChIInChI=1S/C7H8N2O3/c8-7(9-12)4-1-2-5(10)6(11)3-4/h1-3,10-12H,(H2,8,9)
InChIKeyJOAASNKBYBFGDN-UHFFFAOYSA-N
XLogP0.19
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Related Compounds

Trimidox
CID 135409350
Dihydroxybenzylamine
CID 91623
1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide (1:1)
CID 13343562
4-Hydroxy-benzamidine
CID 217125
Benzenecarboximidamide, 4-hydroxy-, hydrochloride (1:1)
CID 217124
4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
CID 137632382
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
CID 137640007
N'-hydroxy-4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenecarboximidamide
CID 137648751
4-[(E)-2-(2-fluoro-4,5-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
CID 137655844
N',4-dihydroxybenzenecarboximidamide
CID 135585386
Salicylamidoxime
CID 135683605
3-[(E)-2-(2-fluoro-4,5-dihydroxyphenyl)ethenyl]-N'-hydroxybenzenecarboximidamide
CID 137641639

Frequently Asked Questions

What is the IUPAC name of N',3,4-trihydroxybenzenecarboximidamide?
The IUPAC name of N',3,4-trihydroxybenzenecarboximidamide (CID 135413522) is N',3,4-trihydroxybenzenecarboximidamide.
What is the SMILES notation for N',3,4-trihydroxybenzenecarboximidamide?
The canonical SMILES for N',3,4-trihydroxybenzenecarboximidamide is N/C(=N\O)c1ccc(O)c(O)c1.
What is the InChIKey of N',3,4-trihydroxybenzenecarboximidamide?
The InChIKey is JOAASNKBYBFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c8-7(9-12)4-1-2-5(10)6(11)3-4/h1-3,10-12H,(H2,8,9).
What are the key properties of N',3,4-trihydroxybenzenecarboximidamide?
N',3,4-trihydroxybenzenecarboximidamide has a molecular weight of 168.15 g/mol, XLogP of 0.19, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,4-trihydroxybenzenecarboximidamide is sourced from PubChem (CID 135413522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).