3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid

C10H8F4N4O2 — CID 25248721

IUPAC3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1nc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C10H8F4N4O2/c11-8(12)4-3-5(9(13)14)18-10(15-4)16-6(17-18)1-2-7(19)20/h3,8-9H,1-2H2,(H,19,20)
InChIKeyKNVBPXKNMBTTHJ-UHFFFAOYSA-N
MW292.19 g/mol
LogP2.02
Rot. Bonds5

About 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid

3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid (PubChem CID 25248721) has the molecular formula C10H8F4N4O2 and a molecular weight of 292.19 g/mol. Its IUPAC name is 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
PubChem CID25248721
Molecular FormulaC10H8F4N4O2
Molecular Weight292.19 g/mol
Exact Mass292.06
IUPAC Name3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid
SMILESO=C(O)CCc1nc2nc(C(F)F)cc(C(F)F)n2n1
InChIInChI=1S/C10H8F4N4O2/c11-8(12)4-3-5(9(13)14)18-10(15-4)16-6(17-18)1-2-7(19)20/h3,8-9H,1-2H2,(H,19,20)
InChIKeyKNVBPXKNMBTTHJ-UHFFFAOYSA-N
XLogP2.02
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The IUPAC name of 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CID 25248721) is 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The canonical SMILES for 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid is O=C(O)CCc1nc2nc(C(F)F)cc(C(F)F)n2n1.
What is the InChIKey of 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
The InChIKey is KNVBPXKNMBTTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N4O2/c11-8(12)4-3-5(9(13)14)18-10(15-4)16-6(17-18)1-2-7(19)20/h3,8-9H,1-2H2,(H,19,20).
What are the key properties of 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid?
3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid has a molecular weight of 292.19 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-bis(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid is sourced from PubChem (CID 25248721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).