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

C8H7ClF2N4 — CID 53391869

IUPAC7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C(C)(F)F)nc2n1
InChIInChI=1S/C8H7ClF2N4/c1-4-3-5(9)15-7(12-4)13-6(14-15)8(2,10)11/h3H,1-2H3
InChIKeyVPYFEHOXUIAQFS-UHFFFAOYSA-N
MW232.62 g/mol
LogP2.20
Rot. Bonds1

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

7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53391869) has the molecular formula C8H7ClF2N4 and a molecular weight of 232.62 g/mol. Its IUPAC name is 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53391869
Molecular FormulaC8H7ClF2N4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Name7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(C(C)(F)F)nc2n1
InChIInChI=1S/C8H7ClF2N4/c1-4-3-5(9)15-7(12-4)13-6(14-15)8(2,10)11/h3H,1-2H3
InChIKeyVPYFEHOXUIAQFS-UHFFFAOYSA-N
XLogP2.20
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53391869) is 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(C(C)(F)F)nc2n1.
What is the InChIKey of 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VPYFEHOXUIAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4/c1-4-3-5(9)15-7(12-4)13-6(14-15)8(2,10)11/h3H,1-2H3.
What are the key properties of 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 232.62 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1,1-difluoroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53391869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).