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

C11H13F3N4O3 — CID 64574818

IUPAC5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O3/c12-11(13,14)10-16-15-7-6-17(4-5-18(7)10)8(19)2-1-3-9(20)21/h1-6H2,(H,20,21)
InChIKeyHCFRGNRMJSTWNT-UHFFFAOYSA-N
MW306.24 g/mol
LogP0.89
Rot. Bonds4

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

5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid (PubChem CID 64574818) has the molecular formula C11H13F3N4O3 and a molecular weight of 306.24 g/mol. Its IUPAC name is 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid
PubChem CID64574818
Molecular FormulaC11H13F3N4O3
Molecular Weight306.24 g/mol
Exact Mass306.09
IUPAC Name5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid
SMILESO=C(O)CCCC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N4O3/c12-11(13,14)10-16-15-7-6-17(4-5-18(7)10)8(19)2-1-3-9(20)21/h1-6H2,(H,20,21)
InChIKeyHCFRGNRMJSTWNT-UHFFFAOYSA-N
XLogP0.89
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

14-oxo-14-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]tetradecanoic acid
CID 157797528
17-oxo-17-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]heptadecanoic acid
CID 157992568
16-oxo-16-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexadecanoic acid
CID 159007949
15-oxo-15-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentadecanoic acid
CID 160623081
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoic acid
CID 64574987
4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoic acid
CID 64575010
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]cyclopropane-1-carboxylic acid
CID 64575011
6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]hexanoic acid
CID 64575746
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid
CID 64575913
5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid
CID 64577242
5-hydroxy-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-one
CID 79209630
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]cyclobutane-1-carboxylic acid
CID 80996400

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid?
The IUPAC name of 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid (CID 64574818) is 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid?
The canonical SMILES for 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid is O=C(O)CCCC(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid?
The InChIKey is HCFRGNRMJSTWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O3/c12-11(13,14)10-16-15-7-6-17(4-5-18(7)10)8(19)2-1-3-9(20)21/h1-6H2,(H,20,21).
What are the key properties of 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid?
5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid has a molecular weight of 306.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentanoic acid is sourced from PubChem (CID 64574818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).