3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol

C12H13N3O2 — CID 137004647

IUPAC3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESOc1ccc(-c2nnc3n2CCCC3O)cc1
InChIInChI=1S/C12H13N3O2/c16-9-5-3-8(4-6-9)11-13-14-12-10(17)2-1-7-15(11)12/h3-6,10,16-17H,1-2,7H2
InChIKeyUEDBGKCTLPXYPN-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.48
Rot. Bonds1

About 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol

3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 137004647) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
PubChem CID137004647
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol
SMILESOc1ccc(-c2nnc3n2CCCC3O)cc1
InChIInChI=1S/C12H13N3O2/c16-9-5-3-8(4-6-9)11-13-14-12-10(17)2-1-7-15(11)12/h3-6,10,16-17H,1-2,7H2
InChIKeyUEDBGKCTLPXYPN-UHFFFAOYSA-N
XLogP1.48
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The IUPAC name of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 137004647) is 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol.
What is the SMILES notation for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The canonical SMILES for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is Oc1ccc(-c2nnc3n2CCCC3O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
The InChIKey is UEDBGKCTLPXYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-9-5-3-8(4-6-9)11-13-14-12-10(17)2-1-7-15(11)12/h3-6,10,16-17H,1-2,7H2.
What are the key properties of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol?
3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 231.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 137004647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).