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

C9H11F3N4O4 — CID 158110072

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCn2cnnc2C1
InChIInChI=1S/C7H10N4O2.C2HF3O2/c12-7(13)4-10-1-2-11-5-8-9-6(11)3-10;3-2(4,5)1(6)7/h5H,1-4H2,(H,12,13);(H,6,7)
InChIKeyYJQOIYMNVOYPCW-UHFFFAOYSA-N
MW296.20 g/mol
LogP-0.19
Rot. Bonds2

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 158110072) has the molecular formula C9H11F3N4O4 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid
PubChem CID158110072
Molecular FormulaC9H11F3N4O4
Molecular Weight296.20 g/mol
Exact Mass296.07
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)CN1CCn2cnnc2C1
InChIInChI=1S/C7H10N4O2.C2HF3O2/c12-7(13)4-10-1-2-11-5-8-9-6(11)3-10;3-2(4,5)1(6)7/h5H,1-4H2,(H,12,13);(H,6,7)
InChIKeyYJQOIYMNVOYPCW-UHFFFAOYSA-N
XLogP-0.19
TPSA108.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(Trifluoromethyl)-1,2,4-triazol-4-yl]acetic acid
CID 54217421
2-[3-(Difluoromethyl)-1,2,4-triazol-4-yl]acetic acid
CID 165139533
[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetyl] 2,2,2-trifluoroacetate
CID 175088395
5,6,7,8-Tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 175747099
2-amino-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;2,2,2-trifluoroacetic acid
CID 175933973
methyl 2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetate
CID 56793762
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propanoic acid
CID 64574985
2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetic acid
CID 64575096
2-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)acetic acid
CID 64575748
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoic acid
CID 64575752
2-[methyl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid
CID 64576802
2-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]amino]acetic acid
CID 64576804

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid (CID 158110072) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)CN1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is YJQOIYMNVOYPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2.C2HF3O2/c12-7(13)4-10-1-2-11-5-8-9-6(11)3-10;3-2(4,5)1(6)7/h5H,1-4H2,(H,12,13);(H,6,7).
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 296.20 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158110072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).