[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

C12H16N4O — CID 117145664

IUPAC[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(C3CCOCC3)nnc12
InChIInChI=1S/C12H16N4O/c13-8-10-2-1-5-16-11(14-15-12(10)16)9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8,13H2
InChIKeyJPXDWMATKVFYKF-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.08
Rot. Bonds2

About [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine

[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (PubChem CID 117145664) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound Name[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
PubChem CID117145664
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
SMILESNCc1cccn2c(C3CCOCC3)nnc12
InChIInChI=1S/C12H16N4O/c13-8-10-2-1-5-16-11(14-15-12(10)16)9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8,13H2
InChIKeyJPXDWMATKVFYKF-UHFFFAOYSA-N
XLogP1.08
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The IUPAC name of [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine (CID 117145664) is [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine.
What is the SMILES notation for [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The canonical SMILES for [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is NCc1cccn2c(C3CCOCC3)nnc12.
What is the InChIKey of [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
The InChIKey is JPXDWMATKVFYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-8-10-2-1-5-16-11(14-15-12(10)16)9-3-6-17-7-4-9/h1-2,5,9H,3-4,6-8,13H2.
What are the key properties of [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine?
[3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 117145664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).