2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium

C18H28N6OP+ — CID 23176918

IUPAC2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium
SMILESc1cc(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)c2n[nH]nc2c1
InChIInChI=1S/C18H28N6OP/c1-2-11-22(10-1)26(23-12-3-4-13-23,24-14-5-6-15-24)25-17-9-7-8-16-18(17)20-21-19-16/h7-9H,1-6,10-15H2,(H,19,20,21)/q+1
InChIKeySALIGPAVMVFEJN-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.30
Rot. Bonds5

About 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium

2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium (PubChem CID 23176918) has the molecular formula C18H28N6OP+ and a molecular weight of 375.44 g/mol. Its IUPAC name is 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium.

Molecular Properties

Compound Name2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium
PubChem CID23176918
Molecular FormulaC18H28N6OP+
Molecular Weight375.44 g/mol
Exact Mass375.21
IUPAC Name2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium
SMILESc1cc(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)c2n[nH]nc2c1
InChIInChI=1S/C18H28N6OP/c1-2-11-22(10-1)26(23-12-3-4-13-23,24-14-5-6-15-24)25-17-9-7-8-16-18(17)20-21-19-16/h7-9H,1-6,10-15H2,(H,19,20,21)/q+1
InChIKeySALIGPAVMVFEJN-UHFFFAOYSA-N
XLogP3.30
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2H-benzotriazol-4-yloxy-[[2H-benzotriazol-4-yloxy-tris(dimethylamino)-lambda5-phosphanyl]oxy-fluorophosphoryl]oxy-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine
CID 140454795
N-[2H-benzotriazol-4-yloxy-bis(dimethylamino)-[fluoro(hexoxy)phosphoryl]oxy-lambda5-phosphanyl]-N-methylmethanamine
CID 145820295
2H-benzotriazol-4-yloxy-[[2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)-lambda5-phosphanyl]oxy-fluorophosphanyl]oxy-tripyrrolidin-1-yl-lambda5-phosphane
CID 141106124
bis[[1-(2H-benzotriazol-4-yloxy)pyrrolidin-2-yl]oxy]-fluorophosphane
CID 141106126
2H-benzotriazol-4-yloxy-tris(dimethylamino)phosphanium
CID 21882056
benzotriazolyloxytris(dimethylamino)phosphonium PF6
CID 21883476
Benzotriazolyloxytripyrollidinophosphonium hexafluorophosphate
CID 23284262
N-(2H-benzotriazol-4-yloxyphosphanyl)-N-methylmethanamine;bis(N-methylmethanamine)
CID 69539485
2H-benzotriazol-4-yloxyphosphane
CID 70377971
bis(2H-benzotriazol-4-yloxy-tris(dimethylamino)phosphanium);fluoro-dioxido-oxo-lambda5-phosphane
CID 87879735
2H-benzotriazol-4-yloxy-tris(dimethylamino)phosphanium;fluoro(hexoxy)phosphinate
CID 88075774
2H-benzotriazol-4-ol;tetrabutylazanium
CID 137160229

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium?
The IUPAC name of 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium (CID 23176918) is 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium.
What is the SMILES notation for 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium?
The canonical SMILES for 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium is c1cc(O[P+](N2CCCC2)(N2CCCC2)N2CCCC2)c2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium?
The InChIKey is SALIGPAVMVFEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OP/c1-2-11-22(10-1)26(23-12-3-4-13-23,24-14-5-6-15-24)25-17-9-7-8-16-18(17)20-21-19-16/h7-9H,1-6,10-15H2,(H,19,20,21)/q+1.
What are the key properties of 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium?
2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium has a molecular weight of 375.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-4-yloxy(tripyrrolidin-1-yl)phosphanium is sourced from PubChem (CID 23176918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).