2-phenyldiazenylbenzenecarboximidamide

C13H12N4 — CID 154141709

IUPAC2-phenyldiazenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C13H12N4/c14-13(15)11-8-4-5-9-12(11)17-16-10-6-2-1-3-7-10/h1-9H,(H3,14,15)/b17-16+
InChIKeyKFSPIRXJFZKGJQ-WUKNDPDISA-N
MW224.27 g/mol
LogP3.39
Rot. Bonds3

About 2-phenyldiazenylbenzenecarboximidamide

2-phenyldiazenylbenzenecarboximidamide (PubChem CID 154141709) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-phenyldiazenylbenzenecarboximidamide.

Molecular Properties

Compound Name2-phenyldiazenylbenzenecarboximidamide
PubChem CID154141709
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-phenyldiazenylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1/N=N/c1ccccc1
InChIInChI=1S/C13H12N4/c14-13(15)11-8-4-5-9-12(11)17-16-10-6-2-1-3-7-10/h1-9H,(H3,14,15)/b17-16+
InChIKeyKFSPIRXJFZKGJQ-WUKNDPDISA-N
XLogP3.39
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-phenyldiazenylbenzamide
CID 3752866
2-amino-1-(2-phenyldiazenylphenyl)ethanone
CID 175689798
2-phenyldiazenylphenol
CID 16897
diphenyldiazene;urea
CID 175083568
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide
CID 163938469
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
benzenecarboximidamide;sulfane
CID 172701796
2-nitrobenzenecarboximidamide;hydrochloride
CID 21271815
biphenylene-1,8-dicarboximidamide
CID 71696896
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509

Frequently Asked Questions

What is the IUPAC name of 2-phenyldiazenylbenzenecarboximidamide?
The IUPAC name of 2-phenyldiazenylbenzenecarboximidamide (CID 154141709) is 2-phenyldiazenylbenzenecarboximidamide.
What is the SMILES notation for 2-phenyldiazenylbenzenecarboximidamide?
The canonical SMILES for 2-phenyldiazenylbenzenecarboximidamide is [H]/N=C(\N)c1ccccc1/N=N/c1ccccc1.
What is the InChIKey of 2-phenyldiazenylbenzenecarboximidamide?
The InChIKey is KFSPIRXJFZKGJQ-WUKNDPDISA-N. The full InChI is InChI=1S/C13H12N4/c14-13(15)11-8-4-5-9-12(11)17-16-10-6-2-1-3-7-10/h1-9H,(H3,14,15)/b17-16+.
What are the key properties of 2-phenyldiazenylbenzenecarboximidamide?
2-phenyldiazenylbenzenecarboximidamide has a molecular weight of 224.27 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyldiazenylbenzenecarboximidamide is sourced from PubChem (CID 154141709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).