5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine

C12H8N4O2 — CID 141320424

IUPAC5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine
SMILESc1cc2c(cc1-c1ccc3n[nH]nc3n1)OCO2
InChIInChI=1S/C12H8N4O2/c1-4-10-11(18-6-17-10)5-7(1)8-2-3-9-12(13-8)15-16-14-9/h1-5H,6H2,(H,13,14,15,16)
InChIKeyGHYNKSNGZUXQFY-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.75
Rot. Bonds1

About 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine

5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine (PubChem CID 141320424) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine
PubChem CID141320424
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine
SMILESc1cc2c(cc1-c1ccc3n[nH]nc3n1)OCO2
InChIInChI=1S/C12H8N4O2/c1-4-10-11(18-6-17-10)5-7(1)8-2-3-9-12(13-8)15-16-14-9/h1-5H,6H2,(H,13,14,15,16)
InChIKeyGHYNKSNGZUXQFY-UHFFFAOYSA-N
XLogP1.75
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

SB-505124
CID 9858940
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CID 51037112
5-(1,3-Benzodioxol-5-Ylmethyl)[1,2,4]triazolo[1,5-C]quinazolin-2-Amine
CID 68106001
2-(1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 242962
6-Chloro-3-(3,4-Dimethoxyphenyl)-2-Methylimidazo[1,2-B]pyridazin-8-Amine
CID 91757958
5-(1,3-benzodioxol-5-ylmethyl)-3H-[1,2,4]triazolo[1,5-c]quinazolin-4-ium-2-amine
CID 75277379
2-(1,3-Benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine
CID 10542018
2-(5-benzo(1,3)dioxol-5-yl-2-tert-butyl-3H-imidazol-4-yl)-6-methylpyridine hydrochloride
CID 16079009
3-(benzo[d][1,3]dioxol-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905277
5-Benzo[1,3]dioxol-5-ylmethyl-8-fluoro-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 51036893
3-(benzo[d][1,3]dioxol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 54585414
1-tert-butyl-3-(benzo[d][1,3]dioxol-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine (CID 141320424) is 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine is c1cc2c(cc1-c1ccc3n[nH]nc3n1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine?
The InChIKey is GHYNKSNGZUXQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c1-4-10-11(18-6-17-10)5-7(1)8-2-3-9-12(13-8)15-16-14-9/h1-5H,6H2,(H,13,14,15,16).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine?
5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine has a molecular weight of 240.22 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-2H-triazolo[4,5-b]pyridine is sourced from PubChem (CID 141320424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).