7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

C12H7BrClFN4O — CID 103076016

IUPAC7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C12H7BrClFN4O/c1-6-10(14)18-12-16-5-17-19(12)11(6)20-9-3-7(13)2-8(15)4-9/h2-5H,1H3
InChIKeyJDUDLCFJWCVQDY-UHFFFAOYSA-N
MW357.57 g/mol
LogP3.78
Rot. Bonds2

About 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103076016) has the molecular formula C12H7BrClFN4O and a molecular weight of 357.57 g/mol. Its IUPAC name is 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103076016
Molecular FormulaC12H7BrClFN4O
Molecular Weight357.57 g/mol
Exact Mass355.95
IUPAC Name7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C12H7BrClFN4O/c1-6-10(14)18-12-16-5-17-19(12)11(6)20-9-3-7(13)2-8(15)4-9/h2-5H,1H3
InChIKeyJDUDLCFJWCVQDY-UHFFFAOYSA-N
XLogP3.78
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-(3-fluoro-4-methylphenoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 107169190
7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918207
7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075994
5-chloro-7-[(5-chloro-3-pyridinyl)oxy]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075998
5-chloro-6-methyl-7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075883
4-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]-3-fluorobenzonitrile
CID 107664697
5-chloro-N-(3-fluoro-5-methylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076760
5-chloro-7-cyclopentyloxy-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 103075853
5-chloro-N-(3,5-difluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076124
4-(3-bromo-5-fluorophenoxy)-2-tert-butyl-6-chloro-5-methylpyrimidine
CID 81314867
2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine
CID 81332174
N-(4-bromo-2-fluorophenyl)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076083

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103076016) is 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JDUDLCFJWCVQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN4O/c1-6-10(14)18-12-16-5-17-19(12)11(6)20-9-3-7(13)2-8(15)4-9/h2-5H,1H3.
What are the key properties of 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 357.57 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-5-fluorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103076016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).