N'-cyanobenzenecarboximidamide;hydrochloride

C8H8ClN3 — CID 75485318

IUPACN'-cyanobenzenecarboximidamide;hydrochloride
SMILESCl.N#C/N=C(\N)c1ccccc1
InChIInChI=1S/C8H7N3.ClH/c9-6-11-8(10)7-4-2-1-3-5-7;/h1-5H,(H2,10,11);1H
InChIKeyJDDZWLVUXIEGEU-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.29
Rot. Bonds1

About N'-cyanobenzenecarboximidamide;hydrochloride

N'-cyanobenzenecarboximidamide;hydrochloride (PubChem CID 75485318) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is N'-cyanobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-cyanobenzenecarboximidamide;hydrochloride
PubChem CID75485318
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC NameN'-cyanobenzenecarboximidamide;hydrochloride
SMILESCl.N#C/N=C(\N)c1ccccc1
InChIInChI=1S/C8H7N3.ClH/c9-6-11-8(10)7-4-2-1-3-5-7;/h1-5H,(H2,10,11);1H
InChIKeyJDDZWLVUXIEGEU-UHFFFAOYSA-N
XLogP1.29
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-cyanobenzenecarboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022
N'-hydroxybenzenecarboximidamide
CID 142861747
N'-aminobenzenecarboximidamide
CID 5474957
N'-cyanofuran-2-carboximidamide;hydrochloride
CID 75485317
benzene;2-cyanoguanidine
CID 174939273
N'-[(Z)-ethylideneamino]benzenecarboximidamide
CID 23272286
[amino(phenyl)methylidene]carbamic acid
CID 54409873
ethene;N'-methylbenzenecarboximidamide
CID 142294327
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
N-[amino(phenyl)methylidene]-4-cyanobenzamide
CID 100992622
O-(N-cyano-C-phenylcarbonimidoyl) methanethioate
CID 161046953
N'-methoxybenzenecarboximidamide
CID 10678407

Frequently Asked Questions

What is the IUPAC name of N'-cyanobenzenecarboximidamide;hydrochloride?
The IUPAC name of N'-cyanobenzenecarboximidamide;hydrochloride (CID 75485318) is N'-cyanobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for N'-cyanobenzenecarboximidamide;hydrochloride?
The canonical SMILES for N'-cyanobenzenecarboximidamide;hydrochloride is Cl.N#C/N=C(\N)c1ccccc1.
What is the InChIKey of N'-cyanobenzenecarboximidamide;hydrochloride?
The InChIKey is JDDZWLVUXIEGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.ClH/c9-6-11-8(10)7-4-2-1-3-5-7;/h1-5H,(H2,10,11);1H.
What are the key properties of N'-cyanobenzenecarboximidamide;hydrochloride?
N'-cyanobenzenecarboximidamide;hydrochloride has a molecular weight of 181.63 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyanobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 75485318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).