1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate

C9H12N4O3 — CID 58769163

IUPAC1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate
SMILESCC(C)OC(=O)ON1NNc2cccnc21
InChIInChI=1S/C9H12N4O3/c1-6(2)15-9(14)16-13-8-7(11-12-13)4-3-5-10-8/h3-6,11-12H,1-2H3
InChIKeyBJZFOCBJNTWEGX-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.21
Rot. Bonds2

About 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate

1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate (PubChem CID 58769163) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate.

Molecular Properties

Compound Name1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate
PubChem CID58769163
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate
SMILESCC(C)OC(=O)ON1NNc2cccnc21
InChIInChI=1S/C9H12N4O3/c1-6(2)15-9(14)16-13-8-7(11-12-13)4-3-5-10-8/h3-6,11-12H,1-2H3
InChIKeyBJZFOCBJNTWEGX-UHFFFAOYSA-N
XLogP1.21
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy-[methyl-(tetrafluoro-λ5-phosphanyl)amino]methylidene]-dimethylazanium
CID 20812321
1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium
CID 142346913
3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine
CID 175865668
propan-2-yl (3R)-2-oxo-3-phenyl-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate
CID 57321121
(2-oxo-1-pyridinyl) propan-2-yl carbonate
CID 59672521
propan-2-yl 3-(2,6-dichlorophenyl)-2-sulfanylidene-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxylate
CID 19932870
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
propan-2-yl 2-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 75478041
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate
CID 133468417
propan-2-yl 2-pyrimidin-2-ylsulfanylacetate
CID 47095344

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate?
The IUPAC name of 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate (CID 58769163) is 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate.
What is the SMILES notation for 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate?
The canonical SMILES for 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate is CC(C)OC(=O)ON1NNc2cccnc21.
What is the InChIKey of 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate?
The InChIKey is BJZFOCBJNTWEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6(2)15-9(14)16-13-8-7(11-12-13)4-3-5-10-8/h3-6,11-12H,1-2H3.
What are the key properties of 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate?
1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate has a molecular weight of 224.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate is sourced from PubChem (CID 58769163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).