tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium

C17H15N7OP+ — CID 175569203

IUPACtri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
SMILESc1cnc2c(c1)nnn2O[P+](n1cccc1)(n1cccc1)n1cccc1
InChIInChI=1S/C17H15N7OP/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17/h1-15H/q+1
InChIKeyNZJSXODSOHSINQ-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.98
Rot. Bonds5

About tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium

tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium (PubChem CID 175569203) has the molecular formula C17H15N7OP+ and a molecular weight of 364.33 g/mol. Its IUPAC name is tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium.

Molecular Properties

Compound Nametri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
PubChem CID175569203
Molecular FormulaC17H15N7OP+
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Nametri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
SMILESc1cnc2c(c1)nnn2O[P+](n1cccc1)(n1cccc1)n1cccc1
InChIInChI=1S/C17H15N7OP/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17/h1-15H/q+1
InChIKeyNZJSXODSOHSINQ-UHFFFAOYSA-N
XLogP2.98
TPSA67.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
triazolo[4,5-b]pyridin-3-yl prop-2-enoate
CID 154003219
pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
CID 58602324
3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine
CID 175666460
dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate
CID 162327826
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
CID 163873045
2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide
CID 59514477
[fluoro-[tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)-λ5-phosphanyl]oxyboranyl]oxy-tripyrrolidin-1-yl-(triazolo[4,5-b]pyridin-3-yloxy)-λ5-phosphane
CID 176719436
[dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;N-methylacetamide;hexafluorophosphate
CID 22667883
2-(triazolo[4,5-b]pyridin-3-yl)propanoic acid
CID 67201217
N,N'-di(propan-2-yl)methanediimine;3-hydroxytriazolo[4,5-b]pyridine
CID 131720865

Frequently Asked Questions

What is the IUPAC name of tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium?
The IUPAC name of tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium (CID 175569203) is tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium.
What is the SMILES notation for tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium?
The canonical SMILES for tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium is c1cnc2c(c1)nnn2O[P+](n1cccc1)(n1cccc1)n1cccc1.
What is the InChIKey of tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium?
The InChIKey is NZJSXODSOHSINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7OP/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17/h1-15H/q+1.
What are the key properties of tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium?
tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium has a molecular weight of 364.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium is sourced from PubChem (CID 175569203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).