diaminomethylidene-(4-hydroxyphenyl)azanium chloride

C7H10ClN3O — CID 135618148

IUPACdiaminomethylidene-(4-hydroxyphenyl)azanium chloride
SMILESNC(N)=[NH+]c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C7H9N3O.ClH/c8-7(9)10-5-1-3-6(11)4-2-5;/h1-4,11H,(H4,8,9,10);1H
InChIKeyIFHCVRXNEVZWKB-UHFFFAOYSA-N
MW187.63 g/mol
LogP-4.62
Rot. Bonds1

About diaminomethylidene-(4-hydroxyphenyl)azanium chloride

diaminomethylidene-(4-hydroxyphenyl)azanium chloride (PubChem CID 135618148) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is diaminomethylidene-(4-hydroxyphenyl)azanium chloride.

Molecular Properties

Compound Namediaminomethylidene-(4-hydroxyphenyl)azanium chloride
PubChem CID135618148
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Namediaminomethylidene-(4-hydroxyphenyl)azanium chloride
SMILESNC(N)=[NH+]c1ccc(O)cc1.[Cl-]
InChIInChI=1S/C7H9N3O.ClH/c8-7(9)10-5-1-3-6(11)4-2-5;/h1-4,11H,(H4,8,9,10);1H
InChIKeyIFHCVRXNEVZWKB-UHFFFAOYSA-N
XLogP-4.62
TPSA86.24 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 5-4.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Aminophenol
CID 403
4-Aminophenol hydrochloride
CID 5828
Phenol, 4-isothiocyanato-
CID 102208
4-Amino-2-iodophenol
CID 13774763
4-Azidophenol
CID 11622340
4-Amino-3-fluorophenol
CID 2735919
2-Ethyl-1-(4-hydroxy-phenyl)-isothiourea; hydriodide
CID 10607934
N-(4-Hydroxyphenyl)aminosulfonamide
CID 15219881
Phenol, 4-amino-2-fluoro-
CID 2735918
4-Amino-3-iodophenol
CID 11160672
Ethyl (4-hydroxyphenyl)-carbamimidothioate hydroiodide
CID 45260383
3-(4-Oxocyclohexa-2,5-dien-1-ylidene)carbazamidine
CID 72789

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-(4-hydroxyphenyl)azanium chloride?
The IUPAC name of diaminomethylidene-(4-hydroxyphenyl)azanium chloride (CID 135618148) is diaminomethylidene-(4-hydroxyphenyl)azanium chloride.
What is the SMILES notation for diaminomethylidene-(4-hydroxyphenyl)azanium chloride?
The canonical SMILES for diaminomethylidene-(4-hydroxyphenyl)azanium chloride is NC(N)=[NH+]c1ccc(O)cc1.[Cl-].
What is the InChIKey of diaminomethylidene-(4-hydroxyphenyl)azanium chloride?
The InChIKey is IFHCVRXNEVZWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O.ClH/c8-7(9)10-5-1-3-6(11)4-2-5;/h1-4,11H,(H4,8,9,10);1H.
What are the key properties of diaminomethylidene-(4-hydroxyphenyl)azanium chloride?
diaminomethylidene-(4-hydroxyphenyl)azanium chloride has a molecular weight of 187.63 g/mol, XLogP of -4.62, 1 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-(4-hydroxyphenyl)azanium chloride is sourced from PubChem (CID 135618148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).