2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid

C10H11F3N4O4 — CID 64575009

IUPAC2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H11F3N4O4/c11-10(12,13)9-15-14-6-3-16(1-2-17(6)9)7(18)4-21-5-8(19)20/h1-5H2,(H,19,20)
InChIKeyNZRXVIYXTCTNJT-UHFFFAOYSA-N
MW308.22 g/mol
LogP-0.26
Rot. Bonds4

About 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid

2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid (PubChem CID 64575009) has the molecular formula C10H11F3N4O4 and a molecular weight of 308.22 g/mol. Its IUPAC name is 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid
PubChem CID64575009
Molecular FormulaC10H11F3N4O4
Molecular Weight308.22 g/mol
Exact Mass308.07
IUPAC Name2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid
SMILESO=C(O)COCC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C10H11F3N4O4/c11-10(12,13)9-15-14-6-3-16(1-2-17(6)9)7(18)4-21-5-8(19)20/h1-5H2,(H,19,20)
InChIKeyNZRXVIYXTCTNJT-UHFFFAOYSA-N
XLogP-0.26
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid (CID 64575009) is 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid is O=C(O)COCC(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid?
The InChIKey is NZRXVIYXTCTNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O4/c11-10(12,13)9-15-14-6-3-16(1-2-17(6)9)7(18)4-21-5-8(19)20/h1-5H2,(H,19,20).
What are the key properties of 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid?
2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid has a molecular weight of 308.22 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethoxy]acetic acid is sourced from PubChem (CID 64575009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).