4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide

C12H13F3N6O2 — CID 49432703

IUPAC4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide
SMILESCc1cc(N2CCOC(C(N)=O)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H13F3N6O2/c1-6-4-8(20-2-3-23-7(5-20)9(16)22)21-11(17-6)18-10(19-21)12(13,14)15/h4,7H,2-3,5H2,1H3,(H2,16,22)
InChIKeyCHTSQSWWLRZTFG-UHFFFAOYSA-N
MW330.27 g/mol
LogP0.14
Rot. Bonds2

About 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide

4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide (PubChem CID 49432703) has the molecular formula C12H13F3N6O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide
PubChem CID49432703
Molecular FormulaC12H13F3N6O2
Molecular Weight330.27 g/mol
Exact Mass330.11
IUPAC Name4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide
SMILESCc1cc(N2CCOC(C(N)=O)C2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C12H13F3N6O2/c1-6-4-8(20-2-3-23-7(5-20)9(16)22)21-11(17-6)18-10(19-21)12(13,14)15/h4,7H,2-3,5H2,1H3,(H2,16,22)
InChIKeyCHTSQSWWLRZTFG-UHFFFAOYSA-N
XLogP0.14
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide?
The IUPAC name of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide (CID 49432703) is 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide.
What is the SMILES notation for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide?
The canonical SMILES for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide is Cc1cc(N2CCOC(C(N)=O)C2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide?
The InChIKey is CHTSQSWWLRZTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N6O2/c1-6-4-8(20-2-3-23-7(5-20)9(16)22)21-11(17-6)18-10(19-21)12(13,14)15/h4,7H,2-3,5H2,1H3,(H2,16,22).
What are the key properties of 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide?
4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide has a molecular weight of 330.27 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine-2-carboxamide is sourced from PubChem (CID 49432703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).