1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium

C17H29N7OP+ — CID 142346913

IUPAC1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium
SMILESc1cnc2c(c1)NNN2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C17H29N7OP/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/h7-9,19-20H,1-6,10-15H2/q+1
InChIKeyGVBIXRRMYFBTJM-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.63
Rot. Bonds5

About 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium

1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium (PubChem CID 142346913) has the molecular formula C17H29N7OP+ and a molecular weight of 378.44 g/mol. Its IUPAC name is 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium.

Molecular Properties

Compound Name1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium
PubChem CID142346913
Molecular FormulaC17H29N7OP+
Molecular Weight378.44 g/mol
Exact Mass378.22
IUPAC Name1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium
SMILESc1cnc2c(c1)NNN2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1
InChIInChI=1S/C17H29N7OP/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/h7-9,19-20H,1-6,10-15H2/q+1
InChIKeyGVBIXRRMYFBTJM-UHFFFAOYSA-N
XLogP2.63
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate
CID 58769163
3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine
CID 175865668
[1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy-[methyl-(tetrafluoro-λ5-phosphanyl)amino]methylidene]-dimethylazanium
CID 20812321
4-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 50742427
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
3-methoxypyrido[3,2-d]triazin-4-one;(4-oxopyrido[3,2-d]triazin-3-yl)oxy-tripyrrolidin-1-ylphosphanium;3-(pyrrolidin-1-ylmethoxy)pyrido[3,2-d]triazin-4-one
CID 158563339
6-methyl-11-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-c][1,5]benzodiazepin-5-one;hydrochloride
CID 21438325
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
2,7,12-triazatricyclo[6.4.0.02,5]dodeca-1(8),9,11-trien-6-one
CID 141273952
10-(hydroxymethyl)-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 68784895
1-(2-piperidin-1-yl-3-pyridinyl)ethanamine
CID 103846595
1-(3-amino-2-pyridinyl)imidazolidin-2-one
CID 155457116

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium?
The IUPAC name of 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium (CID 142346913) is 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium.
What is the SMILES notation for 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium?
The canonical SMILES for 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium is c1cnc2c(c1)NNN2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1.
What is the InChIKey of 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium?
The InChIKey is GVBIXRRMYFBTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7OP/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/h7-9,19-20H,1-6,10-15H2/q+1.
What are the key properties of 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium?
1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium has a molecular weight of 378.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium is sourced from PubChem (CID 142346913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).