N'-aminobenzenecarboximidamide

C7H9N3 — CID 5474957

IUPACN'-aminobenzenecarboximidamide
SMILESN/N=C(/N)c1ccccc1
InChIInChI=1S/C7H9N3/c8-7(10-9)6-4-2-1-3-5-6/h1-5H,9H2,(H2,8,10)
InChIKeyLPNPFQNKOSDVTM-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.27
Rot. Bonds1

About N'-aminobenzenecarboximidamide

N'-aminobenzenecarboximidamide (PubChem CID 5474957) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is N'-aminobenzenecarboximidamide.

Molecular Properties

Compound NameN'-aminobenzenecarboximidamide
PubChem CID5474957
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC NameN'-aminobenzenecarboximidamide
SMILESN/N=C(/N)c1ccccc1
InChIInChI=1S/C7H9N3/c8-7(10-9)6-4-2-1-3-5-6/h1-5H,9H2,(H2,8,10)
InChIKeyLPNPFQNKOSDVTM-UHFFFAOYSA-N
XLogP0.27
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N'-hydroxybenzenecarboximidamide
CID 142861747
N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
N'-amino-3-bromobenzenecarboximidamide
CID 83534045
N'-amino-4-fluorobenzenecarboximidamide;hydrochloride
CID 68690299
[amino(phenyl)methylidene]carbamic acid
CID 54409873
ethene;N'-methylbenzenecarboximidamide
CID 142294327
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
N'-methoxybenzenecarboximidamide
CID 10678407
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
N'-(4-sulfamoylphenyl)benzenecarboximidamide
CID 55159197

Frequently Asked Questions

What is the IUPAC name of N'-aminobenzenecarboximidamide?
The IUPAC name of N'-aminobenzenecarboximidamide (CID 5474957) is N'-aminobenzenecarboximidamide.
What is the SMILES notation for N'-aminobenzenecarboximidamide?
The canonical SMILES for N'-aminobenzenecarboximidamide is N/N=C(/N)c1ccccc1.
What is the InChIKey of N'-aminobenzenecarboximidamide?
The InChIKey is LPNPFQNKOSDVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-7(10-9)6-4-2-1-3-5-6/h1-5H,9H2,(H2,8,10).
What are the key properties of N'-aminobenzenecarboximidamide?
N'-aminobenzenecarboximidamide has a molecular weight of 135.17 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminobenzenecarboximidamide is sourced from PubChem (CID 5474957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).