triazin-4-ylphosphane

C3H4N3P — CID 23191315

IUPACtriazin-4-ylphosphane
SMILESPc1ccnnn1
InChIInChI=1S/C3H4N3P/c7-3-1-2-4-6-5-3/h1-2H,7H2
InChIKeyHXVCCJDKPYRLJG-UHFFFAOYSA-N
MW113.06 g/mol
LogP-0.63
Rot. Bonds

About triazin-4-ylphosphane

triazin-4-ylphosphane (PubChem CID 23191315) has the molecular formula C3H4N3P and a molecular weight of 113.06 g/mol. Its IUPAC name is triazin-4-ylphosphane.

Molecular Properties

Compound Nametriazin-4-ylphosphane
PubChem CID23191315
Molecular FormulaC3H4N3P
Molecular Weight113.06 g/mol
Exact Mass113.01
IUPAC Nametriazin-4-ylphosphane
SMILESPc1ccnnn1
InChIInChI=1S/C3H4N3P/c7-3-1-2-4-6-5-3/h1-2H,7H2
InChIKeyHXVCCJDKPYRLJG-UHFFFAOYSA-N
XLogP-0.63
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.06
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triazin-4-ylphosphane 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 triazin-4-ylphosphane?
The IUPAC name of triazin-4-ylphosphane (CID 23191315) is triazin-4-ylphosphane.
What is the SMILES notation for triazin-4-ylphosphane?
The canonical SMILES for triazin-4-ylphosphane is Pc1ccnnn1.
What is the InChIKey of triazin-4-ylphosphane?
The InChIKey is HXVCCJDKPYRLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N3P/c7-3-1-2-4-6-5-3/h1-2H,7H2.
What are the key properties of triazin-4-ylphosphane?
triazin-4-ylphosphane has a molecular weight of 113.06 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazin-4-ylphosphane is sourced from PubChem (CID 23191315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).