N'-cyanofuran-2-carboximidamide;hydrochloride

C6H6ClN3O — CID 75485317

IUPACN'-cyanofuran-2-carboximidamide;hydrochloride
SMILESCl.N#C/N=C(\N)c1ccco1
InChIInChI=1S/C6H5N3O.ClH/c7-4-9-6(8)5-2-1-3-10-5;/h1-3H,(H2,8,9);1H
InChIKeyVBCRGNUNLGQEKS-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.89
Rot. Bonds1

About N'-cyanofuran-2-carboximidamide;hydrochloride

N'-cyanofuran-2-carboximidamide;hydrochloride (PubChem CID 75485317) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is N'-cyanofuran-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-cyanofuran-2-carboximidamide;hydrochloride
PubChem CID75485317
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC NameN'-cyanofuran-2-carboximidamide;hydrochloride
SMILESCl.N#C/N=C(\N)c1ccco1
InChIInChI=1S/C6H5N3O.ClH/c7-4-9-6(8)5-2-1-3-10-5;/h1-3H,(H2,8,9);1H
InChIKeyVBCRGNUNLGQEKS-UHFFFAOYSA-N
XLogP0.89
TPSA75.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-cyanofuran-2-carboximidamide;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'-cyanobenzenecarboximidamide;hydrochloride
CID 75485318
3-amino-3-(furan-2-yl)prop-2-enenitrile
CID 69283548
(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile
CID 11332786
(Z)-2-(furan-2-yl)-3-hydroxyprop-2-enenitrile
CID 119089971
furan-2-carboxamide;molecular hydrogen
CID 145259960
bis(furan-2-carbothioic S-acid);hydrochloride
CID 122655797
bis((NZ)-N-[(2Z)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine);copper
CID 135436493
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N,N'-diaminofuran-2-carboximidamide
CID 145191959
bromomethyl furan-2-carboxylate
CID 54363056
furan-2-carboxylic acid;methanamine
CID 82372767
calcium;bis(furan-2-carboxylate);hydrate
CID 160535503

Frequently Asked Questions

What is the IUPAC name of N'-cyanofuran-2-carboximidamide;hydrochloride?
The IUPAC name of N'-cyanofuran-2-carboximidamide;hydrochloride (CID 75485317) is N'-cyanofuran-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-cyanofuran-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-cyanofuran-2-carboximidamide;hydrochloride is Cl.N#C/N=C(\N)c1ccco1.
What is the InChIKey of N'-cyanofuran-2-carboximidamide;hydrochloride?
The InChIKey is VBCRGNUNLGQEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O.ClH/c7-4-9-6(8)5-2-1-3-10-5;/h1-3H,(H2,8,9);1H.
What are the key properties of N'-cyanofuran-2-carboximidamide;hydrochloride?
N'-cyanofuran-2-carboximidamide;hydrochloride has a molecular weight of 171.59 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyanofuran-2-carboximidamide;hydrochloride is sourced from PubChem (CID 75485317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).