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

C6H9N3O — CID 117148996

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOC1CCc2nncn2C1
InChIInChI=1S/C6H9N3O/c10-5-1-2-6-8-7-4-9(6)3-5/h4-5,10H,1-3H2
InChIKeyKBTIERQWTJHYKK-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.41
Rot. Bonds

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117148996) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117148996
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESOC1CCc2nncn2C1
InChIInChI=1S/C6H9N3O/c10-5-1-2-6-8-7-4-9(6)3-5/h4-5,10H,1-3H2
InChIKeyKBTIERQWTJHYKK-UHFFFAOYSA-N
XLogP-0.41
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117148996) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is OC1CCc2nncn2C1.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is KBTIERQWTJHYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-5-1-2-6-8-7-4-9(6)3-5/h4-5,10H,1-3H2.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 139.16 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117148996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).