[3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium

C18H17N6+ — CID 142807332

IUPAC[3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium
SMILES[H]/N=C(/N=N/[NH2+]c1cccc(-c2ccccc2N)c1)c1ccccn1
InChIInChI=1S/C18H16N6/c19-16-9-2-1-8-15(16)13-6-5-7-14(12-13)22-24-23-18(20)17-10-3-4-11-21-17/h1-12H,19H2,(H2,20,22,23)/p+1
InChIKeyZHVIUUOTZHJVBH-UHFFFAOYSA-O
MW317.38 g/mol
LogP2.92
Rot. Bonds4

About [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium

[3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium (PubChem CID 142807332) has the molecular formula C18H17N6+ and a molecular weight of 317.38 g/mol. Its IUPAC name is [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium.

Molecular Properties

Compound Name[3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium
PubChem CID142807332
Molecular FormulaC18H17N6+
Molecular Weight317.38 g/mol
Exact Mass317.15
IUPAC Name[3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium
SMILES[H]/N=C(/N=N/[NH2+]c1cccc(-c2ccccc2N)c1)c1ccccn1
InChIInChI=1S/C18H16N6/c19-16-9-2-1-8-15(16)13-6-5-7-14(12-13)22-24-23-18(20)17-10-3-4-11-21-17/h1-12H,19H2,(H2,20,22,23)/p+1
InChIKeyZHVIUUOTZHJVBH-UHFFFAOYSA-O
XLogP2.92
TPSA104.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

palladium(2+);bis([N-(pyridine-2-carboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide)
CID 139149323
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide
CID 163838886
2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
CID 175718665
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757
3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 121301760
2-(3-ethoxyphenyl)aniline
CID 57482711
1-pyridin-2-ylethane-1,2-diimine
CID 174501150
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium?
The IUPAC name of [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium (CID 142807332) is [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium.
What is the SMILES notation for [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium?
The canonical SMILES for [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium is [H]/N=C(/N=N/[NH2+]c1cccc(-c2ccccc2N)c1)c1ccccn1.
What is the InChIKey of [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium?
The InChIKey is ZHVIUUOTZHJVBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16N6/c19-16-9-2-1-8-15(16)13-6-5-7-14(12-13)22-24-23-18(20)17-10-3-4-11-21-17/h1-12H,19H2,(H2,20,22,23)/p+1.
What are the key properties of [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium?
[3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium has a molecular weight of 317.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminophenyl)phenyl]-(pyridine-2-carboximidoyldiazenyl)azanium is sourced from PubChem (CID 142807332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).