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

C9H13N5OP+ — CID 58602324

IUPACpyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
SMILESc1cnc2c(c1)nnn2O[PH2+]N1CCCC1
InChIInChI=1S/C9H12N5OP/c1-2-7-13(6-1)16-15-14-9-8(11-12-14)4-3-5-10-9/h3-5,16H,1-2,6-7H2/p+1
InChIKeyXOGCQENHDJBLFN-UHFFFAOYSA-O
MW238.21 g/mol
LogP0.59
Rot. Bonds3

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

pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium (PubChem CID 58602324) has the molecular formula C9H13N5OP+ and a molecular weight of 238.21 g/mol. Its IUPAC name is pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium.

Molecular Properties

Compound Namepyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
PubChem CID58602324
Molecular FormulaC9H13N5OP+
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Namepyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
SMILESc1cnc2c(c1)nnn2O[PH2+]N1CCCC1
InChIInChI=1S/C9H12N5OP/c1-2-7-13(6-1)16-15-14-9-8(11-12-14)4-3-5-10-9/h3-5,16H,1-2,6-7H2/p+1
InChIKeyXOGCQENHDJBLFN-UHFFFAOYSA-O
XLogP0.59
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dodecakis(benzotriazol-1-yloxy(pyrrolidin-1-yl)phosphanium);hexakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 22016374
[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
triazolo[4,5-b]pyridin-3-yl acetate
CID 18737155
tri(pyrrol-1-yl)-(triazolo[4,5-b]pyridin-3-yloxy)phosphanium
CID 175569203
triazolo[4,5-b]pyridin-3-yl prop-2-enoate
CID 154003219
3-[(1-phenyltriazol-4-yl)methoxy]triazolo[4,5-b]pyridine
CID 175666460
triazolo[4,5-b]pyridin-3-ylmethanol
CID 141117967
bis(triazolo[4,5-b]pyridin-3-yl) (E)-pent-2-enedioate
CID 163873045
3-(3-methylcyclobutyl)triazolo[4,5-b]pyridine
CID 168997176
pyrrolidin-1-yl-[3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone
CID 53069710
dimethylamino-dimethyl-(triazolo[4,5-b]pyridin-3-yloxymethyl)azanium hexafluorophosphate
CID 162327826
triazolo[4,5-b]pyridin-3-yl 1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 153388660

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium?
The IUPAC name of pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium (CID 58602324) is pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium.
What is the SMILES notation for pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium?
The canonical SMILES for pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium is c1cnc2c(c1)nnn2O[PH2+]N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium?
The InChIKey is XOGCQENHDJBLFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N5OP/c1-2-7-13(6-1)16-15-14-9-8(11-12-14)4-3-5-10-9/h3-5,16H,1-2,6-7H2/p+1.
What are the key properties of pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium?
pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium has a molecular weight of 238.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium is sourced from PubChem (CID 58602324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).