3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C11H14N4O — CID 63014932

IUPAC3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(C3CCCOC3)n2c1
InChIInChI=1S/C11H14N4O/c12-9-3-4-10-13-14-11(15(10)6-9)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7,12H2
InChIKeyXBGQDIBDVMZHCL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.21
Rot. Bonds1

About 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 63014932) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID63014932
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNc1ccc2nnc(C3CCCOC3)n2c1
InChIInChI=1S/C11H14N4O/c12-9-3-4-10-13-14-11(15(10)6-9)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7,12H2
InChIKeyXBGQDIBDVMZHCL-UHFFFAOYSA-N
XLogP1.21
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 63014932) is 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Nc1ccc2nnc(C3CCCOC3)n2c1.
What is the InChIKey of 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is XBGQDIBDVMZHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-9-3-4-10-13-14-11(15(10)6-9)8-2-1-5-16-7-8/h3-4,6,8H,1-2,5,7,12H2.
What are the key properties of 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 218.26 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 63014932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).