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

C8H7ClF2N4O — CID 103076023

IUPAC5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OCC(F)F
InChIInChI=1S/C8H7ClF2N4O/c1-4-6(9)14-8-12-3-13-15(8)7(4)16-2-5(10)11/h3,5H,2H2,1H3
InChIKeyPPQGLAITGKTGHJ-UHFFFAOYSA-N
MW248.62 g/mol
LogP1.73
Rot. Bonds3

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

5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 103076023) has the molecular formula C8H7ClF2N4O and a molecular weight of 248.62 g/mol. Its IUPAC name is 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID103076023
Molecular FormulaC8H7ClF2N4O
Molecular Weight248.62 g/mol
Exact Mass248.03
IUPAC Name5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1c(Cl)nc2ncnn2c1OCC(F)F
InChIInChI=1S/C8H7ClF2N4O/c1-4-6(9)14-8-12-3-13-15(8)7(4)16-2-5(10)11/h3,5H,2H2,1H3
InChIKeyPPQGLAITGKTGHJ-UHFFFAOYSA-N
XLogP1.73
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.62
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 103076023) is 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1c(Cl)nc2ncnn2c1OCC(F)F.
What is the InChIKey of 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PPQGLAITGKTGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4O/c1-4-6(9)14-8-12-3-13-15(8)7(4)16-2-5(10)11/h3,5H,2H2,1H3.
What are the key properties of 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 248.62 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2,2-difluoroethoxy)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 103076023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).