2-cyanoguanidine;hydrochloride

C2H5ClN4 — CID 3017105

IUPAC2-cyanoguanidine;hydrochloride
SMILESCl.N#CN=C(N)N
InChIInChI=1S/C2H4N4.ClH/c3-1-6-2(4)5;/h(H4,4,5,6);1H
InChIKeyXFUXGQBTPGTUMC-UHFFFAOYSA-N
MW120.54 g/mol
LogP-0.84
Rot. Bonds

About 2-cyanoguanidine;hydrochloride

2-cyanoguanidine;hydrochloride (PubChem CID 3017105) has the molecular formula C2H5ClN4 and a molecular weight of 120.54 g/mol. Its IUPAC name is 2-cyanoguanidine;hydrochloride.

Molecular Properties

Compound Name2-cyanoguanidine;hydrochloride
PubChem CID3017105
Molecular FormulaC2H5ClN4
Molecular Weight120.54 g/mol
Exact Mass120.02
IUPAC Name2-cyanoguanidine;hydrochloride
SMILESCl.N#CN=C(N)N
InChIInChI=1S/C2H4N4.ClH/c3-1-6-2(4)5;/h(H4,4,5,6);1H
InChIKeyXFUXGQBTPGTUMC-UHFFFAOYSA-N
XLogP-0.84
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.54
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoguanidine;hydrochloride?
The IUPAC name of 2-cyanoguanidine;hydrochloride (CID 3017105) is 2-cyanoguanidine;hydrochloride.
What is the SMILES notation for 2-cyanoguanidine;hydrochloride?
The canonical SMILES for 2-cyanoguanidine;hydrochloride is Cl.N#CN=C(N)N.
What is the InChIKey of 2-cyanoguanidine;hydrochloride?
The InChIKey is XFUXGQBTPGTUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N4.ClH/c3-1-6-2(4)5;/h(H4,4,5,6);1H.
What are the key properties of 2-cyanoguanidine;hydrochloride?
2-cyanoguanidine;hydrochloride has a molecular weight of 120.54 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoguanidine;hydrochloride is sourced from PubChem (CID 3017105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).