7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine

C7H7FN4O — CID 91064422

IUPAC7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1cc(F)nc2ncnn12
InChIInChI=1S/C7H7FN4O/c1-2-13-6-3-5(8)11-7-9-4-10-12(6)7/h3-4H,2H2,1H3
InChIKeyKJYUFDQGEOVQLR-UHFFFAOYSA-N
MW182.16 g/mol
LogP0.66
Rot. Bonds2

About 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine

7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 91064422) has the molecular formula C7H7FN4O and a molecular weight of 182.16 g/mol. Its IUPAC name is 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID91064422
Molecular FormulaC7H7FN4O
Molecular Weight182.16 g/mol
Exact Mass182.06
IUPAC Name7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCOc1cc(F)nc2ncnn12
InChIInChI=1S/C7H7FN4O/c1-2-13-6-3-5(8)11-7-9-4-10-12(6)7/h3-4H,2H2,1H3
InChIKeyKJYUFDQGEOVQLR-UHFFFAOYSA-N
XLogP0.66
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 91064422) is 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine is CCOc1cc(F)nc2ncnn12.
What is the InChIKey of 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KJYUFDQGEOVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN4O/c1-2-13-6-3-5(8)11-7-9-4-10-12(6)7/h3-4H,2H2,1H3.
What are the key properties of 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 182.16 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-5-fluoro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91064422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).