3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol

C10H12BrN5O — CID 114189657

IUPAC3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol
SMILESOC1(CNc2nc3ccc(Br)cn3n2)CNC1
InChIInChI=1S/C10H12BrN5O/c11-7-1-2-8-14-9(15-16(8)3-7)13-6-10(17)4-12-5-10/h1-3,12,17H,4-6H2,(H,13,15)
InChIKeyOJESRIRTGCYUQG-UHFFFAOYSA-N
MW298.14 g/mol
LogP0.24
Rot. Bonds3

About 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol

3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol (PubChem CID 114189657) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol
PubChem CID114189657
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol
SMILESOC1(CNc2nc3ccc(Br)cn3n2)CNC1
InChIInChI=1S/C10H12BrN5O/c11-7-1-2-8-14-9(15-16(8)3-7)13-6-10(17)4-12-5-10/h1-3,12,17H,4-6H2,(H,13,15)
InChIKeyOJESRIRTGCYUQG-UHFFFAOYSA-N
XLogP0.24
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol?
The IUPAC name of 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol (CID 114189657) is 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol.
What is the SMILES notation for 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol?
The canonical SMILES for 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol is OC1(CNc2nc3ccc(Br)cn3n2)CNC1.
What is the InChIKey of 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol?
The InChIKey is OJESRIRTGCYUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c11-7-1-2-8-14-9(15-16(8)3-7)13-6-10(17)4-12-5-10/h1-3,12,17H,4-6H2,(H,13,15).
What are the key properties of 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol?
3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol has a molecular weight of 298.14 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]methyl]azetidin-3-ol is sourced from PubChem (CID 114189657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).