potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide

C5H6BF3KN3 — CID 71763506

IUPACpotassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide
SMILESC=CCn1cc([B-](F)(F)F)nn1.[K+]
InChIInChI=1S/C5H6BF3N3.K/c1-2-3-12-4-5(10-11-12)6(7,8)9;/h2,4H,1,3H2;/q-1;+1
InChIKeyZZYGHSMUAPXPLC-UHFFFAOYSA-N
MW215.03 g/mol
LogP-2.48
Rot. Bonds3

About potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide

potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide (PubChem CID 71763506) has the molecular formula C5H6BF3KN3 and a molecular weight of 215.03 g/mol. Its IUPAC name is potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide.

Molecular Properties

Compound Namepotassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide
PubChem CID71763506
Molecular FormulaC5H6BF3KN3
Molecular Weight215.03 g/mol
Exact Mass215.02
IUPAC Namepotassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide
SMILESC=CCn1cc([B-](F)(F)F)nn1.[K+]
InChIInChI=1S/C5H6BF3N3.K/c1-2-3-12-4-5(10-11-12)6(7,8)9;/h2,4H,1,3H2;/q-1;+1
InChIKeyZZYGHSMUAPXPLC-UHFFFAOYSA-N
XLogP-2.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.03
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide 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 potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide?
The IUPAC name of potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide (CID 71763506) is potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide.
What is the SMILES notation for potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide?
The canonical SMILES for potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide is C=CCn1cc([B-](F)(F)F)nn1.[K+].
What is the InChIKey of potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide?
The InChIKey is ZZYGHSMUAPXPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BF3N3.K/c1-2-3-12-4-5(10-11-12)6(7,8)9;/h2,4H,1,3H2;/q-1;+1.
What are the key properties of potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide?
potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide has a molecular weight of 215.03 g/mol, XLogP of -2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium trifluoro-(1-prop-2-enyltriazol-4-yl)boranuide is sourced from PubChem (CID 71763506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).