2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid

C10H9F3N4O2 — CID 84810464

IUPAC2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCC(Cc1cnc2nc(C(F)(F)F)nn2c1)C(=O)O
InChIInChI=1S/C10H9F3N4O2/c1-5(7(18)19)2-6-3-14-9-15-8(10(11,12)13)16-17(9)4-6/h3-5H,2H2,1H3,(H,18,19)
InChIKeyRXHLFHKCALBKGF-UHFFFAOYSA-N
MW274.20 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid

2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid (PubChem CID 84810464) has the molecular formula C10H9F3N4O2 and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
PubChem CID84810464
Molecular FormulaC10H9F3N4O2
Molecular Weight274.20 g/mol
Exact Mass274.07
IUPAC Name2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
SMILESCC(Cc1cnc2nc(C(F)(F)F)nn2c1)C(=O)O
InChIInChI=1S/C10H9F3N4O2/c1-5(7(18)19)2-6-3-14-9-15-8(10(11,12)13)16-17(9)4-6/h3-5H,2H2,1H3,(H,18,19)
InChIKeyRXHLFHKCALBKGF-UHFFFAOYSA-N
XLogP1.41
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid with MolForge

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Related Compounds

3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
CID 15578993
3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propyl acetate
CID 44577863
3-{Pyrazolo[1,5-a]pyrimidin-6-yl}propanoic acid
CID 82603759
3-[4-(Methylamino)-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]propanoic acid
CID 91456682
2-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729511
3-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propanoic acid
CID 84729512
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-2-one
CID 84802570
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 84803125
3-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806135
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806527
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 84806529
3-Amino-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid (CID 84810464) is 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid is CC(Cc1cnc2nc(C(F)(F)F)nn2c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
The InChIKey is RXHLFHKCALBKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O2/c1-5(7(18)19)2-6-3-14-9-15-8(10(11,12)13)16-17(9)4-6/h3-5H,2H2,1H3,(H,18,19).
What are the key properties of 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid?
2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid has a molecular weight of 274.20 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoic acid is sourced from PubChem (CID 84810464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).