benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium

C18H28N6P+ — CID 10481298

IUPACbenzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium
SMILESc1ccc2nn([P+](N3CCCC3)(N3CCCC3)N3CCCC3)nc2c1
InChIInChI=1S/C18H28N6P/c1-2-10-18-17(9-1)19-24(20-18)25(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23/h1-2,9-10H,3-8,11-16H2/q+1
InChIKeyDSHIYLGPMJCIHT-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.24
Rot. Bonds4

About benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium

benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium (PubChem CID 10481298) has the molecular formula C18H28N6P+ and a molecular weight of 359.44 g/mol. Its IUPAC name is benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium.

Molecular Properties

Compound Namebenzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium
PubChem CID10481298
Molecular FormulaC18H28N6P+
Molecular Weight359.44 g/mol
Exact Mass359.21
IUPAC Namebenzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium
SMILESc1ccc2nn([P+](N3CCCC3)(N3CCCC3)N3CCCC3)nc2c1
InChIInChI=1S/C18H28N6P/c1-2-10-18-17(9-1)19-24(20-18)25(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23/h1-2,9-10H,3-8,11-16H2/q+1
InChIKeyDSHIYLGPMJCIHT-UHFFFAOYSA-N
XLogP3.24
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium?
The IUPAC name of benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium (CID 10481298) is benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium.
What is the SMILES notation for benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium?
The canonical SMILES for benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium is c1ccc2nn([P+](N3CCCC3)(N3CCCC3)N3CCCC3)nc2c1.
What is the InChIKey of benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium?
The InChIKey is DSHIYLGPMJCIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6P/c1-2-10-18-17(9-1)19-24(20-18)25(21-11-3-4-12-21,22-13-5-6-14-22)23-15-7-8-16-23/h1-2,9-10H,3-8,11-16H2/q+1.
What are the key properties of benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium?
benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium has a molecular weight of 359.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-2-yl(tripyrrolidin-1-yl)phosphanium is sourced from PubChem (CID 10481298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).