2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide

C14H15N7 — CID 163938469

IUPAC2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(/N=N/[H])c1ccccc1/C(N)=N/[H]
InChIInChI=1S/C14H15N7/c15-13(16)9-5-1-3-7-11(9)21(20-19)12-8-4-2-6-10(12)14(17)18/h1-8,19H,(H3,15,16)(H3,17,18)/b20-19+
InChIKeyROXAOIQFYYOQCV-FMQUCBEESA-N
MW281.32 g/mol
LogP2.34
Rot. Bonds5

About 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide

2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide (PubChem CID 163938469) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide
PubChem CID163938469
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N(/N=N/[H])c1ccccc1/C(N)=N/[H]
InChIInChI=1S/C14H15N7/c15-13(16)9-5-1-3-7-11(9)21(20-19)12-8-4-2-6-10(12)14(17)18/h1-8,19H,(H3,15,16)(H3,17,18)/b20-19+
InChIKeyROXAOIQFYYOQCV-FMQUCBEESA-N
XLogP2.34
TPSA139.19 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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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Related Compounds

2-(dipropylamino)benzenecarboximidamide
CID 28601050
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
2-[methyl(pentan-2-yl)amino]benzenecarboximidamide
CID 43572161
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
2-phenyldiazenylbenzenecarboximidamide
CID 154141709
biphenylene-1,8-dicarboximidamide
CID 71696896
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
2-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83157429
2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978295

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide?
The IUPAC name of 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide (CID 163938469) is 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide.
What is the SMILES notation for 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide?
The canonical SMILES for 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N(/N=N/[H])c1ccccc1/C(N)=N/[H].
What is the InChIKey of 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide?
The InChIKey is ROXAOIQFYYOQCV-FMQUCBEESA-N. The full InChI is InChI=1S/C14H15N7/c15-13(16)9-5-1-3-7-11(9)21(20-19)12-8-4-2-6-10(12)14(17)18/h1-8,19H,(H3,15,16)(H3,17,18)/b20-19+.
What are the key properties of 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide?
2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide has a molecular weight of 281.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamimidoyl-N-diazenylanilino)benzenecarboximidamide is sourced from PubChem (CID 163938469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).