8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C12H16N4O2 — CID 82383485

IUPAC8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1ccc(N)n2c(C3CCCOC3)nnc12
InChIInChI=1S/C12H16N4O2/c1-17-9-4-5-10(13)16-11(14-15-12(9)16)8-3-2-6-18-7-8/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyWASRXWVKXOCQJB-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.21
Rot. Bonds2

About 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 82383485) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

Compound Name8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID82383485
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESCOc1ccc(N)n2c(C3CCCOC3)nnc12
InChIInChI=1S/C12H16N4O2/c1-17-9-4-5-10(13)16-11(14-15-12(9)16)8-3-2-6-18-7-8/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyWASRXWVKXOCQJB-UHFFFAOYSA-N
XLogP1.21
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxan-3-yl)imidazo[1,5-a]pyridin-5-amine
CID 117141464
6-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117137949
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63014932
8-methoxy-3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145480
8-chloro-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146433
4-methyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115395411
4-[4-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-5-(oxan-3-yl)-1,2,4-triazol-3-yl]morpholine
CID 167962801
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138986
4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
CID 63013480
3-(oxan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103188
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117469039
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 167743789

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 82383485) is 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1ccc(N)n2c(C3CCCOC3)nnc12.
What is the InChIKey of 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is WASRXWVKXOCQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-17-9-4-5-10(13)16-11(14-15-12(9)16)8-3-2-6-18-7-8/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 248.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 82383485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).