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

C14H11FN4O2 — CID 103200391

IUPACmethyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ncc(C)c(-c3ccccc3F)n2n1
InChIInChI=1S/C14H11FN4O2/c1-8-7-16-14-17-12(13(20)21-2)18-19(14)11(8)9-5-3-4-6-10(9)15/h3-7H,1-2H3
InChIKeyRSGISMAQGUTKDZ-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.03
Rot. Bonds2

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

methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 103200391) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID103200391
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Namemethyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc2ncc(C)c(-c3ccccc3F)n2n1
InChIInChI=1S/C14H11FN4O2/c1-8-7-16-14-17-12(13(20)21-2)18-19(14)11(8)9-5-3-4-6-10(9)15/h3-7H,1-2H3
InChIKeyRSGISMAQGUTKDZ-UHFFFAOYSA-N
XLogP2.03
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-oxo-1,8,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-11-carboxylate
CID 103200466
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
methyl 6-(2-fluorophenyl)pyrazine-2-carboxylate
CID 167450752
methyl 7-(3-bromo-4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200418
ethyl 7-(2-fluorophenyl)-2-(3-pyridin-4-yloxyanilino)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 59515617
methyl 7-(4-ethylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200385
methyl 5-(1,4-dimethylpyrazol-5-yl)-4-fluoropyridine-2-carboxylate
CID 118408814
methyl 7-(3-aminophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 103200375
methyl 6-[[2-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylate
CID 159676255
7-methyl-N-[2-(2-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190009
methyl 6-(2-fluorophenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 115996483
methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916146

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CID 103200391) is methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1nc2ncc(C)c(-c3ccccc3F)n2n1.
What is the InChIKey of methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is RSGISMAQGUTKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c1-8-7-16-14-17-12(13(20)21-2)18-19(14)11(8)9-5-3-4-6-10(9)15/h3-7H,1-2H3.
What are the key properties of methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 286.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-fluorophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 103200391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).