2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C10H10F3N5O2 — CID 79257911

IUPAC2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cc(N(CC(=O)O)CC(F)(F)F)n2ncnc2n1
InChIInChI=1S/C10H10F3N5O2/c1-6-2-7(18-9(16-6)14-5-15-18)17(3-8(19)20)4-10(11,12)13/h2,5H,3-4H2,1H3,(H,19,20)
InChIKeySCUBQDIZHUDXKG-UHFFFAOYSA-N
MW289.22 g/mol
LogP0.89
Rot. Bonds4

About 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257911) has the molecular formula C10H10F3N5O2 and a molecular weight of 289.22 g/mol. Its IUPAC name is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257911
Molecular FormulaC10H10F3N5O2
Molecular Weight289.22 g/mol
Exact Mass289.08
IUPAC Name2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCc1cc(N(CC(=O)O)CC(F)(F)F)n2ncnc2n1
InChIInChI=1S/C10H10F3N5O2/c1-6-2-7(18-9(16-6)14-5-15-18)17(3-8(19)20)4-10(11,12)13/h2,5H,3-4H2,1H3,(H,19,20)
InChIKeySCUBQDIZHUDXKG-UHFFFAOYSA-N
XLogP0.89
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257911) is 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is Cc1cc(N(CC(=O)O)CC(F)(F)F)n2ncnc2n1.
What is the InChIKey of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is SCUBQDIZHUDXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2/c1-6-2-7(18-9(16-6)14-5-15-18)17(3-8(19)20)4-10(11,12)13/h2,5H,3-4H2,1H3,(H,19,20).
What are the key properties of 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 289.22 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).