[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol

C13H18N4O2 — CID 106300070

IUPAC[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol
SMILESCc1cccc2nc(NC3(CO)CCOCC3)nn12
InChIInChI=1S/C13H18N4O2/c1-10-3-2-4-11-14-12(16-17(10)11)15-13(9-18)5-7-19-8-6-13/h2-4,18H,5-9H2,1H3,(H,15,16)
InChIKeyYJKXJARDBYCPRF-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.99
Rot. Bonds3

About [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol

[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol (PubChem CID 106300070) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol
PubChem CID106300070
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol
SMILESCc1cccc2nc(NC3(CO)CCOCC3)nn12
InChIInChI=1S/C13H18N4O2/c1-10-3-2-4-11-14-12(16-17(10)11)15-13(9-18)5-7-19-8-6-13/h2-4,18H,5-9H2,1H3,(H,15,16)
InChIKeyYJKXJARDBYCPRF-UHFFFAOYSA-N
XLogP0.99
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol (CID 106300070) is [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol is Cc1cccc2nc(NC3(CO)CCOCC3)nn12.
What is the InChIKey of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol?
The InChIKey is YJKXJARDBYCPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-3-2-4-11-14-12(16-17(10)11)15-13(9-18)5-7-19-8-6-13/h2-4,18H,5-9H2,1H3,(H,15,16).
What are the key properties of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol?
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol has a molecular weight of 262.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106300070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).