3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol

C9H11N3O — CID 117139751

IUPAC3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESCC(C)c1nnc2ccc(O)cn12
InChIInChI=1S/C9H11N3O/c1-6(2)9-11-10-8-4-3-7(13)5-12(8)9/h3-6,13H,1-2H3
InChIKeyJPILYCWDSRJQAC-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.56
Rot. Bonds1

About 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol

3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol (PubChem CID 117139751) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol.

Molecular Properties

Compound Name3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol
PubChem CID117139751
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol
SMILESCC(C)c1nnc2ccc(O)cn12
InChIInChI=1S/C9H11N3O/c1-6(2)9-11-10-8-4-3-7(13)5-12(8)9/h3-6,13H,1-2H3
InChIKeyJPILYCWDSRJQAC-UHFFFAOYSA-N
XLogP1.56
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The IUPAC name of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol (CID 117139751) is 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol.
What is the SMILES notation for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The canonical SMILES for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol is CC(C)c1nnc2ccc(O)cn12.
What is the InChIKey of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
The InChIKey is JPILYCWDSRJQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6(2)9-11-10-8-4-3-7(13)5-12(8)9/h3-6,13H,1-2H3.
What are the key properties of 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol?
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol has a molecular weight of 177.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-ol is sourced from PubChem (CID 117139751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).