diaminomethylidene(phenyl)azanium chloride

C7H10ClN3 — CID 67742710

IUPACdiaminomethylidene(phenyl)azanium chloride
SMILESNC(N)=[NH+]c1ccccc1.[Cl-]
InChIInChI=1S/C7H9N3.ClH/c8-7(9)10-6-4-2-1-3-5-6;/h1-5H,(H4,8,9,10);1H
InChIKeyFHOQBEFKSSAXDW-UHFFFAOYSA-N
MW171.63 g/mol
LogP-4.32
Rot. Bonds1

About diaminomethylidene(phenyl)azanium chloride

diaminomethylidene(phenyl)azanium chloride (PubChem CID 67742710) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is diaminomethylidene(phenyl)azanium chloride.

Molecular Properties

Compound Namediaminomethylidene(phenyl)azanium chloride
PubChem CID67742710
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Namediaminomethylidene(phenyl)azanium chloride
SMILESNC(N)=[NH+]c1ccccc1.[Cl-]
InChIInChI=1S/C7H9N3.ClH/c8-7(9)10-6-4-2-1-3-5-6;/h1-5H,(H4,8,9,10);1H
InChIKeyFHOQBEFKSSAXDW-UHFFFAOYSA-N
XLogP-4.32
TPSA66.01 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 5-4.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 diaminomethylidene(phenyl)azanium chloride?
The IUPAC name of diaminomethylidene(phenyl)azanium chloride (CID 67742710) is diaminomethylidene(phenyl)azanium chloride.
What is the SMILES notation for diaminomethylidene(phenyl)azanium chloride?
The canonical SMILES for diaminomethylidene(phenyl)azanium chloride is NC(N)=[NH+]c1ccccc1.[Cl-].
What is the InChIKey of diaminomethylidene(phenyl)azanium chloride?
The InChIKey is FHOQBEFKSSAXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3.ClH/c8-7(9)10-6-4-2-1-3-5-6;/h1-5H,(H4,8,9,10);1H.
What are the key properties of diaminomethylidene(phenyl)azanium chloride?
diaminomethylidene(phenyl)azanium chloride has a molecular weight of 171.63 g/mol, XLogP of -4.32, 1 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene(phenyl)azanium chloride is sourced from PubChem (CID 67742710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).