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

C13H15N3O2 — CID 117158156

IUPAC2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOc1ccccc1Cc1nc2n(n1)CCCC2O
InChIInChI=1S/C13H15N3O2/c17-10-5-2-1-4-9(10)8-12-14-13-11(18)6-3-7-16(13)15-12/h1-2,4-5,11,17-18H,3,6-8H2
InChIKeyJZCYDQPWKMXCLK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.40
Rot. Bonds2

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

2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 117158156) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID117158156
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOc1ccccc1Cc1nc2n(n1)CCCC2O
InChIInChI=1S/C13H15N3O2/c17-10-5-2-1-4-9(10)8-12-14-13-11(18)6-3-7-16(13)15-12/h1-2,4-5,11,17-18H,3,6-8H2
InChIKeyJZCYDQPWKMXCLK-UHFFFAOYSA-N
XLogP1.40
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 117158156) is 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is Oc1ccccc1Cc1nc2n(n1)CCCC2O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is JZCYDQPWKMXCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-10-5-2-1-4-9(10)8-12-14-13-11(18)6-3-7-16(13)15-12/h1-2,4-5,11,17-18H,3,6-8H2.
What are the key properties of 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 245.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 117158156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).