methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

C13H9FN4O2 — CID 103200435

IUPACmethyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2nccc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C13H9FN4O2/c1-20-12(19)11-16-13-15-6-5-10(18(13)17-11)8-3-2-4-9(14)7-8/h2-7H,1H3
InChIKeyLBXRIKMDVNIFIZ-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.72
Rot. Bonds2

About methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 103200435) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID103200435
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Namemethyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2nccc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C13H9FN4O2/c1-20-12(19)11-16-13-15-6-5-10(18(13)17-11)8-3-2-4-9(14)7-8/h2-7H,1H3
InChIKeyLBXRIKMDVNIFIZ-UHFFFAOYSA-N
XLogP1.72
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 103200435) is methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1nc2nccc(-c3cccc(F)c3)n2n1.
What is the InChIKey of methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is LBXRIKMDVNIFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c1-20-12(19)11-16-13-15-6-5-10(18(13)17-11)8-3-2-4-9(14)7-8/h2-7H,1H3.
What are the key properties of methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 272.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).