3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine

C5H5N4O- — CID 175865668

IUPAC3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine
SMILES[O-]N1NNc2cccnc21
InChIInChI=1S/C5H5N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,7-8H/q-1
InChIKeyGAQKUZWPZDTGEV-UHFFFAOYSA-N
MW137.12 g/mol
LogP0.23
Rot. Bonds

About 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine

3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine (PubChem CID 175865668) has the molecular formula C5H5N4O- and a molecular weight of 137.12 g/mol. Its IUPAC name is 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine
PubChem CID175865668
Molecular FormulaC5H5N4O-
Molecular Weight137.12 g/mol
Exact Mass137.05
IUPAC Name3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine
SMILES[O-]N1NNc2cccnc21
InChIInChI=1S/C5H5N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,7-8H/q-1
InChIKeyGAQKUZWPZDTGEV-UHFFFAOYSA-N
XLogP0.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.12
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy(tripyrrolidin-1-yl)phosphanium
CID 142346913
1,2-dihydrotriazolo[4,5-b]pyridin-3-yl propan-2-yl carbonate
CID 58769163
4-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 50742427
[1,2-dihydrotriazolo[4,5-b]pyridin-3-yloxy-[methyl-(tetrafluoro-λ5-phosphanyl)amino]methylidene]-dimethylazanium
CID 20812321
2-ethyl-13-nitro-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 19711124
2,3-di(pyrazol-1-yl)pyridine
CID 91358877
2,7,12-triazatricyclo[6.4.0.02,5]dodeca-1(8),9,11-trien-6-one
CID 141273952
2-methylidene-4-propan-2-yl-1,3-dihydropyrido[2,3-b]pyrazine
CID 142484716
5-(4-methylphenyl)-3,4-dihydro-1H-pyrido[2,3-b][1,4]diazepin-2-one
CID 79294407
3-(3-methyl-2-pyridinyl)-1,4,5,6-tetrahydrocyclopenta[d]imidazole-2-thione
CID 10561514
1-(3-amino-2-pyridinyl)imidazolidin-2-one
CID 155457116
1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone
CID 82403408

Frequently Asked Questions

What is the IUPAC name of 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine?
The IUPAC name of 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine (CID 175865668) is 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine.
What is the SMILES notation for 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine?
The canonical SMILES for 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine is [O-]N1NNc2cccnc21.
What is the InChIKey of 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine?
The InChIKey is GAQKUZWPZDTGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N4O/c10-9-5-4(7-8-9)2-1-3-6-5/h1-3,7-8H/q-1.
What are the key properties of 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine?
3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine has a molecular weight of 137.12 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-1,2-dihydrotriazolo[4,5-b]pyridine is sourced from PubChem (CID 175865668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).