6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C6H2BrF3N4 — CID 84711727

IUPAC6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C6H2BrF3N4/c7-3-1-11-5-12-4(6(8,9)10)13-14(5)2-3/h1-2H
InChIKeyMFCFQCJFPJLTGE-UHFFFAOYSA-N
MW267.01 g/mol
LogP1.91
Rot. Bonds

About 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 84711727) has the molecular formula C6H2BrF3N4 and a molecular weight of 267.01 g/mol. Its IUPAC name is 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID84711727
Molecular FormulaC6H2BrF3N4
Molecular Weight267.01 g/mol
Exact Mass265.94
IUPAC Name6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C6H2BrF3N4/c7-3-1-11-5-12-4(6(8,9)10)13-14(5)2-3/h1-2H
InChIKeyMFCFQCJFPJLTGE-UHFFFAOYSA-N
XLogP1.91
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.01
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Bromopyrazolo(1,5-a)pyrimidine
CID 12203208
6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15866980
3-Bromopyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 82392080
6-Bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 614285
6-Bromo-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine
CID 74889140
3-Bromo-6-methylpyrazolo(1,5-a)pyrimidine
CID 18732329
6-Bromopyrazolo[1,5-a]pyrimidine
CID 22236701
6-Bromo-3-iodopyrazolo[1,5-a]pyrimidine
CID 56845243
{6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol
CID 57527274
2-Bromo-(1,2,4)triazolo(1,5-a)pyrimidine
CID 77230929
8-Bromopyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 82394100
8-Bromopyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 84049268

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 84711727) is 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MFCFQCJFPJLTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N4/c7-3-1-11-5-12-4(6(8,9)10)13-14(5)2-3/h1-2H.
What are the key properties of 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 267.01 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84711727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).