7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H10F2N6O2 — CID 975225

IUPAC7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)Nc3cc(C)on3)nc2n1
InChIInChI=1S/C12H10F2N6O2/c1-5-3-7(9(13)14)20-12(15-5)17-10(18-20)11(21)16-8-4-6(2)22-19-8/h3-4,9H,1-2H3,(H,16,19,21)
InChIKeyHSWCQJBMJJEKJB-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.92
Rot. Bonds3

About 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 975225) has the molecular formula C12H10F2N6O2 and a molecular weight of 308.25 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID975225
Molecular FormulaC12H10F2N6O2
Molecular Weight308.25 g/mol
Exact Mass308.08
IUPAC Name7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)F)n2nc(C(=O)Nc3cc(C)on3)nc2n1
InChIInChI=1S/C12H10F2N6O2/c1-5-3-7(9(13)14)20-12(15-5)17-10(18-20)11(21)16-8-4-6(2)22-19-8/h3-4,9H,1-2H3,(H,16,19,21)
InChIKeyHSWCQJBMJJEKJB-UHFFFAOYSA-N
XLogP1.92
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 975225) is 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(C)on3)nc2n1.
What is the InChIKey of 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HSWCQJBMJJEKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6O2/c1-5-3-7(9(13)14)20-12(15-5)17-10(18-20)11(21)16-8-4-6(2)22-19-8/h3-4,9H,1-2H3,(H,16,19,21).
What are the key properties of 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 308.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 975225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).