4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol

C12H15BrN4O2 — CID 81130480

IUPAC4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2nc3ccc(Br)cn3n2)CCOCC1
InChIInChI=1S/C12H15BrN4O2/c13-9-1-2-10-15-11(16-17(10)7-9)14-8-12(18)3-5-19-6-4-12/h1-2,7,18H,3-6,8H2,(H,14,16)
InChIKeyYDMWMXPMHCJGCA-UHFFFAOYSA-N
MW327.18 g/mol
LogP1.45
Rot. Bonds3

About 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol

4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol (PubChem CID 81130480) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol
PubChem CID81130480
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol
SMILESOC1(CNc2nc3ccc(Br)cn3n2)CCOCC1
InChIInChI=1S/C12H15BrN4O2/c13-9-1-2-10-15-11(16-17(10)7-9)14-8-12(18)3-5-19-6-4-12/h1-2,7,18H,3-6,8H2,(H,14,16)
InChIKeyYDMWMXPMHCJGCA-UHFFFAOYSA-N
XLogP1.45
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol (CID 81130480) is 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol is OC1(CNc2nc3ccc(Br)cn3n2)CCOCC1.
What is the InChIKey of 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol?
The InChIKey is YDMWMXPMHCJGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c13-9-1-2-10-15-11(16-17(10)7-9)14-8-12(18)3-5-19-6-4-12/h1-2,7,18H,3-6,8H2,(H,14,16).
What are the key properties of 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol?
4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol has a molecular weight of 327.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).