7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H15F2N5O2 — CID 969630

IUPAC7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1
InChIInChI=1S/C16H15F2N5O2/c1-3-25-12-7-5-4-6-10(12)20-15(24)14-21-16-19-9(2)8-11(13(17)18)23(16)22-14/h4-8,13H,3H2,1-2H3,(H,20,24)
InChIKeyFTLXQSVXKWDHFX-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.02
Rot. Bonds5

About 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 969630) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID969630
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1
InChIInChI=1S/C16H15F2N5O2/c1-3-25-12-7-5-4-6-10(12)20-15(24)14-21-16-19-9(2)8-11(13(17)18)23(16)22-14/h4-8,13H,3H2,1-2H3,(H,20,24)
InChIKeyFTLXQSVXKWDHFX-UHFFFAOYSA-N
XLogP3.02
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 969630) is 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1ccccc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1.
What is the InChIKey of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FTLXQSVXKWDHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-3-25-12-7-5-4-6-10(12)20-15(24)14-21-16-19-9(2)8-11(13(17)18)23(16)22-14/h4-8,13H,3H2,1-2H3,(H,20,24).
What are the key properties of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 969630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).