guanidine;trihydrochloride

CH8Cl3N3 — CID 23165990

IUPACguanidine;trihydrochloride
SMILESCl.Cl.Cl.[H]N=C(N)N
InChIInChI=1S/CH5N3.3ClH/c2-1(3)4;;;/h(H5,2,3,4);3*1H
InChIKeyIDJMDIVMAOGVJW-UHFFFAOYSA-N
MW168.46 g/mol
LogP0.10
Rot. Bonds

About guanidine;trihydrochloride

guanidine;trihydrochloride (PubChem CID 23165990) has the molecular formula CH8Cl3N3 and a molecular weight of 168.46 g/mol. Its IUPAC name is guanidine;trihydrochloride.

Molecular Properties

Compound Nameguanidine;trihydrochloride
PubChem CID23165990
Molecular FormulaCH8Cl3N3
Molecular Weight168.46 g/mol
Exact Mass166.98
IUPAC Nameguanidine;trihydrochloride
SMILESCl.Cl.Cl.[H]N=C(N)N
InChIInChI=1S/CH5N3.3ClH/c2-1(3)4;;;/h(H5,2,3,4);3*1H
InChIKeyIDJMDIVMAOGVJW-UHFFFAOYSA-N
XLogP0.10
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.46
LogP ≤ 50.10
H-Bond Donors ≤ 53
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;trihydrochloride?
The IUPAC name of guanidine;trihydrochloride (CID 23165990) is guanidine;trihydrochloride.
What is the SMILES notation for guanidine;trihydrochloride?
The canonical SMILES for guanidine;trihydrochloride is Cl.Cl.Cl.[H]N=C(N)N.
What is the InChIKey of guanidine;trihydrochloride?
The InChIKey is IDJMDIVMAOGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.3ClH/c2-1(3)4;;;/h(H5,2,3,4);3*1H.
What are the key properties of guanidine;trihydrochloride?
guanidine;trihydrochloride has a molecular weight of 168.46 g/mol, XLogP of 0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;trihydrochloride is sourced from PubChem (CID 23165990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).