1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole

C15H15N6O3P — CID 67697086

IUPAC1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole
SMILESCCCP(=O)(On1nnc2ccccc21)On1nnc2ccccc21
InChIInChI=1S/C15H15N6O3P/c1-2-11-25(22,23-20-14-9-5-3-7-12(14)16-18-20)24-21-15-10-6-4-8-13(15)17-19-21/h3-10H,2,11H2,1H3
InChIKeyGXYDTZIYMUITGR-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.34
Rot. Bonds6

About 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole

1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole (PubChem CID 67697086) has the molecular formula C15H15N6O3P and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole.

Molecular Properties

Compound Name1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole
PubChem CID67697086
Molecular FormulaC15H15N6O3P
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC Name1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole
SMILESCCCP(=O)(On1nnc2ccccc21)On1nnc2ccccc21
InChIInChI=1S/C15H15N6O3P/c1-2-11-25(22,23-20-14-9-5-3-7-12(14)16-18-20)24-21-15-10-6-4-8-13(15)17-19-21/h3-10H,2,11H2,1H3
InChIKeyGXYDTZIYMUITGR-UHFFFAOYSA-N
XLogP2.34
TPSA96.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole?
The IUPAC name of 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole (CID 67697086) is 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole.
What is the SMILES notation for 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole?
The canonical SMILES for 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole is CCCP(=O)(On1nnc2ccccc21)On1nnc2ccccc21.
What is the InChIKey of 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole?
The InChIKey is GXYDTZIYMUITGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N6O3P/c1-2-11-25(22,23-20-14-9-5-3-7-12(14)16-18-20)24-21-15-10-6-4-8-13(15)17-19-21/h3-10H,2,11H2,1H3.
What are the key properties of 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole?
1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole has a molecular weight of 358.30 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzotriazol-1-yloxy(propyl)phosphoryl]oxybenzotriazole is sourced from PubChem (CID 67697086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).