hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium

C3H3N3O2P+ — CID 67657189

IUPAChydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium
SMILESO=[P+](O)c1ncncn1
InChIInChI=1S/C3H2N3O2P/c7-9(8)3-5-1-4-2-6-3/h1-2H/p+1
InChIKeyMBJKWKAPMHOIFR-UHFFFAOYSA-O
MW144.05 g/mol
LogP-0.77
Rot. Bonds1

About hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium

hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium (PubChem CID 67657189) has the molecular formula C3H3N3O2P+ and a molecular weight of 144.05 g/mol. Its IUPAC name is hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium
PubChem CID67657189
Molecular FormulaC3H3N3O2P+
Molecular Weight144.05 g/mol
Exact Mass144.00
IUPAC Namehydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium
SMILESO=[P+](O)c1ncncn1
InChIInChI=1S/C3H2N3O2P/c7-9(8)3-5-1-4-2-6-3/h1-2H/p+1
InChIKeyMBJKWKAPMHOIFR-UHFFFAOYSA-O
XLogP-0.77
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.05
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium?
The IUPAC name of hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium (CID 67657189) is hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium?
The canonical SMILES for hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium is O=[P+](O)c1ncncn1.
What is the InChIKey of hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium?
The InChIKey is MBJKWKAPMHOIFR-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H2N3O2P/c7-9(8)3-5-1-4-2-6-3/h1-2H/p+1.
What are the key properties of hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium?
hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium has a molecular weight of 144.05 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(1,3,5-triazin-2-yl)phosphanium is sourced from PubChem (CID 67657189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).