tris(guanidine);hydrochloride

C3H16ClN9 — CID 161493804

IUPACtris(guanidine);hydrochloride
SMILESCl.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/3CH5N3.ClH/c3*2-1(3)4;/h3*(H5,2,3,4);1H
InChIKeyWFYDCPXFBABSEE-UHFFFAOYSA-N
MW213.68 g/mol
LogP-3.06
Rot. Bonds

About tris(guanidine);hydrochloride

tris(guanidine);hydrochloride (PubChem CID 161493804) has the molecular formula C3H16ClN9 and a molecular weight of 213.68 g/mol. Its IUPAC name is tris(guanidine);hydrochloride.

Molecular Properties

Compound Nametris(guanidine);hydrochloride
PubChem CID161493804
Molecular FormulaC3H16ClN9
Molecular Weight213.68 g/mol
Exact Mass213.12
IUPAC Nametris(guanidine);hydrochloride
SMILESCl.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/3CH5N3.ClH/c3*2-1(3)4;/h3*(H5,2,3,4);1H
InChIKeyWFYDCPXFBABSEE-UHFFFAOYSA-N
XLogP-3.06
TPSA227.67 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500213.68
LogP ≤ 5-3.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 87073443
CID 87073443
Bis(guanidine);hydrochloride
CID 88238517
Tris(guanidine);hydron
CID 159865869
CID 159865870
CID 159865870
Diaminomethylideneazanium;tris(guanidine);hydron
CID 161072040
Tris(diaminomethylideneazanium);trichloride
CID 161127365
CID 172829088
CID 172829088
Tris(guanidine);hydrobromide;hydrochloride;hydroiodide
CID 173643810
Hexakis(guanidine);hydrochloride
CID 175475542
Azane;guanidine
CID 176017089

Frequently Asked Questions

What is the IUPAC name of tris(guanidine);hydrochloride?
The IUPAC name of tris(guanidine);hydrochloride (CID 161493804) is tris(guanidine);hydrochloride.
What is the SMILES notation for tris(guanidine);hydrochloride?
The canonical SMILES for tris(guanidine);hydrochloride is Cl.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.
What is the InChIKey of tris(guanidine);hydrochloride?
The InChIKey is WFYDCPXFBABSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH5N3.ClH/c3*2-1(3)4;/h3*(H5,2,3,4);1H.
What are the key properties of tris(guanidine);hydrochloride?
tris(guanidine);hydrochloride has a molecular weight of 213.68 g/mol, XLogP of -3.06, 0 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(guanidine);hydrochloride is sourced from PubChem (CID 161493804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).