tris(guanidine);hydron

C3H17N9+2 — CID 159865869

IUPACtris(guanidine);hydron
SMILES[H+].[H+].[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4)/p+2
InChIKeyNRSJVZICLCJQNB-UHFFFAOYSA-P
MW179.23 g/mol
LogP-3.26
Rot. Bonds

About tris(guanidine);hydron

tris(guanidine);hydron (PubChem CID 159865869) has the molecular formula C3H17N9+2 and a molecular weight of 179.23 g/mol. Its IUPAC name is tris(guanidine);hydron.

Molecular Properties

Compound Nametris(guanidine);hydron
PubChem CID159865869
Molecular FormulaC3H17N9+2
Molecular Weight179.23 g/mol
Exact Mass179.16
IUPAC Nametris(guanidine);hydron
SMILES[H+].[H+].[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4)/p+2
InChIKeyNRSJVZICLCJQNB-UHFFFAOYSA-P
XLogP-3.26
TPSA227.67 Ų
H-Bond Donors9
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500179.23
LogP ≤ 5-3.26
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'}

Analyze tris(guanidine);hydron with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(guanidine);hydron?
The IUPAC name of tris(guanidine);hydron (CID 159865869) is tris(guanidine);hydron.
What is the SMILES notation for tris(guanidine);hydron?
The canonical SMILES for tris(guanidine);hydron is [H+].[H+].[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.
What is the InChIKey of tris(guanidine);hydron?
The InChIKey is NRSJVZICLCJQNB-UHFFFAOYSA-P. The full InChI is InChI=1S/3CH5N3/c3*2-1(3)4/h3*(H5,2,3,4)/p+2.
What are the key properties of tris(guanidine);hydron?
tris(guanidine);hydron has a molecular weight of 179.23 g/mol, XLogP of -3.26, 0 rotatable bonds, 9 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(guanidine);hydron is sourced from PubChem (CID 159865869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).