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

C12H7BrCl2N4O — CID 103075994

IUPAC7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C12H7BrCl2N4O/c1-6-10(15)18-12-16-5-17-19(12)11(6)20-9-4-7(13)2-3-8(9)14/h2-5H,1H3
InChIKeyYOSUUVYYFMEKPN-UHFFFAOYSA-N
MW374.03 g/mol
LogP4.29
Rot. Bonds2

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

7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103075994) has the molecular formula C12H7BrCl2N4O and a molecular weight of 374.03 g/mol. Its IUPAC name is 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103075994
Molecular FormulaC12H7BrCl2N4O
Molecular Weight374.03 g/mol
Exact Mass371.92
IUPAC Name7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C12H7BrCl2N4O/c1-6-10(15)18-12-16-5-17-19(12)11(6)20-9-4-7(13)2-3-8(9)14/h2-5H,1H3
InChIKeyYOSUUVYYFMEKPN-UHFFFAOYSA-N
XLogP4.29
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103075994) is 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1Oc1cc(Br)ccc1Cl.
What is the InChIKey of 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is YOSUUVYYFMEKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N4O/c1-6-10(15)18-12-16-5-17-19(12)11(6)20-9-4-7(13)2-3-8(9)14/h2-5H,1H3.
What are the key properties of 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 374.03 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-chlorophenoxy)-5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103075994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).