N'-(4-cyanophenyl)ethanimidamide;hydrochloride

C9H10ClN3 — CID 45261156

IUPACN'-(4-cyanophenyl)ethanimidamide;hydrochloride
SMILESC/C(N)=N\c1ccc(C#N)cc1.Cl
InChIInChI=1S/C9H9N3.ClH/c1-7(11)12-9-4-2-8(6-10)3-5-9;/h2-5H,1H3,(H2,11,12);1H
InChIKeyCCYXTEFLNZODQR-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.99
Rot. Bonds1

About N'-(4-cyanophenyl)ethanimidamide;hydrochloride

N'-(4-cyanophenyl)ethanimidamide;hydrochloride (PubChem CID 45261156) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is N'-(4-cyanophenyl)ethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(4-cyanophenyl)ethanimidamide;hydrochloride
PubChem CID45261156
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC NameN'-(4-cyanophenyl)ethanimidamide;hydrochloride
SMILESC/C(N)=N\c1ccc(C#N)cc1.Cl
InChIInChI=1S/C9H9N3.ClH/c1-7(11)12-9-4-2-8(6-10)3-5-9;/h2-5H,1H3,(H2,11,12);1H
InChIKeyCCYXTEFLNZODQR-UHFFFAOYSA-N
XLogP1.99
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)ethanimidamide;hydrochloride?
The IUPAC name of N'-(4-cyanophenyl)ethanimidamide;hydrochloride (CID 45261156) is N'-(4-cyanophenyl)ethanimidamide;hydrochloride.
What is the SMILES notation for N'-(4-cyanophenyl)ethanimidamide;hydrochloride?
The canonical SMILES for N'-(4-cyanophenyl)ethanimidamide;hydrochloride is C/C(N)=N\c1ccc(C#N)cc1.Cl.
What is the InChIKey of N'-(4-cyanophenyl)ethanimidamide;hydrochloride?
The InChIKey is CCYXTEFLNZODQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.ClH/c1-7(11)12-9-4-2-8(6-10)3-5-9;/h2-5H,1H3,(H2,11,12);1H.
What are the key properties of N'-(4-cyanophenyl)ethanimidamide;hydrochloride?
N'-(4-cyanophenyl)ethanimidamide;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)ethanimidamide;hydrochloride is sourced from PubChem (CID 45261156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).