7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C8H6ClF3N4O — CID 104818854

IUPAC7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1nc2nc(C(F)(F)F)cc(Cl)n2n1
InChIInChI=1S/C8H6ClF3N4O/c1-2-17-7-14-6-13-4(8(10,11)12)3-5(9)16(6)15-7/h3H,2H2,1H3
InChIKeyDPDXPJBRHDDQKM-UHFFFAOYSA-N
MW266.61 g/mol
LogP2.20
Rot. Bonds2

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

7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 104818854) has the molecular formula C8H6ClF3N4O and a molecular weight of 266.61 g/mol. Its IUPAC name is 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID104818854
Molecular FormulaC8H6ClF3N4O
Molecular Weight266.61 g/mol
Exact Mass266.02
IUPAC Name7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1nc2nc(C(F)(F)F)cc(Cl)n2n1
InChIInChI=1S/C8H6ClF3N4O/c1-2-17-7-14-6-13-4(8(10,11)12)3-5(9)16(6)15-7/h3H,2H2,1H3
InChIKeyDPDXPJBRHDDQKM-UHFFFAOYSA-N
XLogP2.20
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.61
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 104818854) is 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCOc1nc2nc(C(F)(F)F)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DPDXPJBRHDDQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4O/c1-2-17-7-14-6-13-4(8(10,11)12)3-5(9)16(6)15-7/h3H,2H2,1H3.
What are the key properties of 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 266.61 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethoxy-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104818854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).