Guanidine Hydrochloride

CH6ClN3 — CID 5742

IUPACguanidine;hydrochloride
SMILESC(=N)(N)N.Cl
InChIInChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
InChIKeyPJJJBBJSCAKJQF-UHFFFAOYSA-N
MW95.53 g/mol
LogP—
Rot. Bonds

About Guanidine Hydrochloride

Guanidine Hydrochloride (PubChem CID 5742) has the molecular formula CH6ClN3 and a molecular weight of 95.53 g/mol. Its IUPAC name is guanidine;hydrochloride.

Molecular Properties

Compound NameGuanidine Hydrochloride
PubChem CID5742
Molecular FormulaCH6ClN3
Molecular Weight95.53 g/mol
Exact Mass95.03
IUPAC Nameguanidine;hydrochloride
SMILESC(=N)(N)N.Cl
InChIInChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
InChIKeyPJJJBBJSCAKJQF-UHFFFAOYSA-N
XLogP—
TPSA75.90 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity26

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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 Guanidine Hydrochloride?
The IUPAC name of Guanidine Hydrochloride (CID 5742) is guanidine;hydrochloride.
What is the SMILES notation for Guanidine Hydrochloride?
The canonical SMILES for Guanidine Hydrochloride is C(=N)(N)N.Cl.
What is the InChIKey of Guanidine Hydrochloride?
The InChIKey is PJJJBBJSCAKJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H.
What are the key properties of Guanidine Hydrochloride?
Guanidine Hydrochloride has a molecular weight of 95.53 g/mol, XLogP of not available, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Guanidine Hydrochloride is sourced from PubChem (CID 5742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).