4-(anilinodiazenyl)benzenecarboximidamide

C13H13N5 — CID 127044193

IUPAC4-(anilinodiazenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/Nc2ccccc2)cc1
InChIInChI=1S/C13H13N5/c14-13(15)10-6-8-12(9-7-10)17-18-16-11-4-2-1-3-5-11/h1-9H,(H3,14,15)(H,16,17)
InChIKeyZWNFRILGRQXQSD-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.08
Rot. Bonds4

About 4-(anilinodiazenyl)benzenecarboximidamide

4-(anilinodiazenyl)benzenecarboximidamide (PubChem CID 127044193) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(anilinodiazenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(anilinodiazenyl)benzenecarboximidamide
PubChem CID127044193
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-(anilinodiazenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(/N=N/Nc2ccccc2)cc1
InChIInChI=1S/C13H13N5/c14-13(15)10-6-8-12(9-7-10)17-18-16-11-4-2-1-3-5-11/h1-9H,(H3,14,15)(H,16,17)
InChIKeyZWNFRILGRQXQSD-UHFFFAOYSA-N
XLogP3.08
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(anilinodiazenyl)benzenecarboximidamide?
The IUPAC name of 4-(anilinodiazenyl)benzenecarboximidamide (CID 127044193) is 4-(anilinodiazenyl)benzenecarboximidamide.
What is the SMILES notation for 4-(anilinodiazenyl)benzenecarboximidamide?
The canonical SMILES for 4-(anilinodiazenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(/N=N/Nc2ccccc2)cc1.
What is the InChIKey of 4-(anilinodiazenyl)benzenecarboximidamide?
The InChIKey is ZWNFRILGRQXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-13(15)10-6-8-12(9-7-10)17-18-16-11-4-2-1-3-5-11/h1-9H,(H3,14,15)(H,16,17).
What are the key properties of 4-(anilinodiazenyl)benzenecarboximidamide?
4-(anilinodiazenyl)benzenecarboximidamide has a molecular weight of 239.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinodiazenyl)benzenecarboximidamide is sourced from PubChem (CID 127044193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).