[4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol

C20H15N3O3 — CID 71728747

IUPAC[4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)cc1
InChIInChI=1S/C20H15N3O3/c24-11-13-1-3-14(4-2-13)16-6-8-19-21-22-20(23(19)10-16)15-5-7-17-18(9-15)26-12-25-17/h1-10,24H,11-12H2
InChIKeyJULDHTYOWGFXOT-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.28
Rot. Bonds3

About [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol

[4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol (PubChem CID 71728747) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol
PubChem CID71728747
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name[4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)cc1
InChIInChI=1S/C20H15N3O3/c24-11-13-1-3-14(4-2-13)16-6-8-19-21-22-20(23(19)10-16)15-5-7-17-18(9-15)26-12-25-17/h1-10,24H,11-12H2
InChIKeyJULDHTYOWGFXOT-UHFFFAOYSA-N
XLogP3.28
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol with MolForge

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Related Compounds

[4-[6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenyl]methanol
CID 162671984
3-(1,3-benzodioxol-5-yl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327078
[3-(1,3-benzodioxol-5-yl)phenyl]methanol
CID 118042431
3-(1,3-benzodioxol-5-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 75527724
1,3-benzodioxol-5-ylmethyl-[(3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-yl)methyl]azanium
CID 7100725
[3-(1,3-benzodioxol-5-yl)-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]methanol
CID 82062099
[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 135316044
[4-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]phenyl]methanol
CID 164615718
2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 1217495
2-(1,3-benzodioxol-5-yl)-1-hydroxy-4,5-dimethylimidazole
CID 134119166
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 82064342
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol?
The IUPAC name of [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol (CID 71728747) is [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol is OCc1ccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)cc1.
What is the InChIKey of [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol?
The InChIKey is JULDHTYOWGFXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-11-13-1-3-14(4-2-13)16-6-8-19-21-22-20(23(19)10-16)15-5-7-17-18(9-15)26-12-25-17/h1-10,24H,11-12H2.
What are the key properties of [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol?
[4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol has a molecular weight of 345.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]methanol is sourced from PubChem (CID 71728747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).