N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide

C13H14N4O — CID 143836193

IUPACN'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide
SMILESN/N=C(\N)c1cccc(-c2cccc(N)c2O)c1
InChIInChI=1S/C13H14N4O/c14-11-6-2-5-10(12(11)18)8-3-1-4-9(7-8)13(15)17-16/h1-7,18H,14,16H2,(H2,15,17)
InChIKeyMFIRKEUIWHPEJR-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.22
Rot. Bonds2

About N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide

N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide (PubChem CID 143836193) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide
PubChem CID143836193
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide
SMILESN/N=C(\N)c1cccc(-c2cccc(N)c2O)c1
InChIInChI=1S/C13H14N4O/c14-11-6-2-5-10(12(11)18)8-3-1-4-9(7-8)13(15)17-16/h1-7,18H,14,16H2,(H2,15,17)
InChIKeyMFIRKEUIWHPEJR-UHFFFAOYSA-N
XLogP1.22
TPSA110.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide?
The IUPAC name of N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide (CID 143836193) is N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide?
The canonical SMILES for N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide is N/N=C(\N)c1cccc(-c2cccc(N)c2O)c1.
What is the InChIKey of N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide?
The InChIKey is MFIRKEUIWHPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-11-6-2-5-10(12(11)18)8-3-1-4-9(7-8)13(15)17-16/h1-7,18H,14,16H2,(H2,15,17).
What are the key properties of N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide?
N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide has a molecular weight of 242.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-(3-amino-2-hydroxyphenyl)benzenecarboximidamide is sourced from PubChem (CID 143836193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).