2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid

C5H5F3N4O2 — CID 3159632

IUPAC2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid
SMILESNc1nc(C(F)(F)F)nn1CC(=O)O
InChIInChI=1S/C5H5F3N4O2/c6-5(7,8)3-10-4(9)12(11-3)1-2(13)14/h1H2,(H,13,14)(H2,9,10,11)
InChIKeyGKKZKBQNVLSRFX-UHFFFAOYSA-N
MW210.11 g/mol
LogP-0.04
Rot. Bonds2

About 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid

2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid (PubChem CID 3159632) has the molecular formula C5H5F3N4O2 and a molecular weight of 210.11 g/mol. Its IUPAC name is 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid
PubChem CID3159632
Molecular FormulaC5H5F3N4O2
Molecular Weight210.11 g/mol
Exact Mass210.04
IUPAC Name2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid
SMILESNc1nc(C(F)(F)F)nn1CC(=O)O
InChIInChI=1S/C5H5F3N4O2/c6-5(7,8)3-10-4(9)12(11-3)1-2(13)14/h1H2,(H,13,14)(H2,9,10,11)
InChIKeyGKKZKBQNVLSRFX-UHFFFAOYSA-N
XLogP-0.04
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]acetic acid
CID 84034029
(5-Amino-3-trifluoromethyl-[1,2,4]triazol-1-YL)-acetic acid hydrochloride
CID 46735946
2-[3-(Trifluoromethyl)-1,2,4-triazol-4-yl]acetic acid
CID 54217421
1-(3,3,3-Trifluoropropyl)-1H-1,2,4-triazole-3-carboxylic acid
CID 83820547
1-Methyl-3-(trifluoromethyl)-1H-1,2,4-triazole-5-carboxylic acid
CID 83879209
2-(5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)acetic acid
CID 86711670
2-[3-(Difluoromethyl)-1,2,4-triazol-1-yl]acetic acid
CID 121485679
5-Bromo-1-(3,3,3-trifluoropropyl)-1,2,4-triazole-3-carboxylic acid
CID 142564082
Ethane;2-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxylic acid
CID 157031198
2-(2,2,2-Trifluoroethyl)-1,2,4-triazole-3-carboxylic acid
CID 157031199
2-(3,3,3-Trifluoropropyl)-1,2,4-triazole-3-carboxylic acid
CID 157031765
2-[3-(Difluoromethyl)-1,2,4-triazol-4-yl]acetic acid
CID 165139533

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid?
The IUPAC name of 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid (CID 3159632) is 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid is Nc1nc(C(F)(F)F)nn1CC(=O)O.
What is the InChIKey of 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid?
The InChIKey is GKKZKBQNVLSRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O2/c6-5(7,8)3-10-4(9)12(11-3)1-2(13)14/h1H2,(H,13,14)(H2,9,10,11).
What are the key properties of 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid?
2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid has a molecular weight of 210.11 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetic acid is sourced from PubChem (CID 3159632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).