6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C13H6BrF3N6O — CID 157152323

IUPAC6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2cn3cc(Br)ccc3n2)cnc2nc(C(F)(F)F)[nH]n12
InChIInChI=1S/C13H6BrF3N6O/c14-6-1-2-9-19-8(5-22(9)4-6)7-3-18-12-20-11(13(15,16)17)21-23(12)10(7)24/h1-5H,(H,18,20,21)
InChIKeyALKBVTCNIUJECQ-UHFFFAOYSA-N
MW399.13 g/mol
LogP2.51
Rot. Bonds1

About 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 157152323) has the molecular formula C13H6BrF3N6O and a molecular weight of 399.13 g/mol. Its IUPAC name is 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID157152323
Molecular FormulaC13H6BrF3N6O
Molecular Weight399.13 g/mol
Exact Mass397.97
IUPAC Name6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2cn3cc(Br)ccc3n2)cnc2nc(C(F)(F)F)[nH]n12
InChIInChI=1S/C13H6BrF3N6O/c14-6-1-2-9-19-8(5-22(9)4-6)7-3-18-12-20-11(13(15,16)17)21-23(12)10(7)24/h1-5H,(H,18,20,21)
InChIKeyALKBVTCNIUJECQ-UHFFFAOYSA-N
XLogP2.51
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.13
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 157152323) is 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2cn3cc(Br)ccc3n2)cnc2nc(C(F)(F)F)[nH]n12.
What is the InChIKey of 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ALKBVTCNIUJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF3N6O/c14-6-1-2-9-19-8(5-22(9)4-6)7-3-18-12-20-11(13(15,16)17)21-23(12)10(7)24/h1-5H,(H,18,20,21).
What are the key properties of 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 399.13 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 157152323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).