5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid

C12H9F3N6O2 — CID 166317085

IUPAC5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNc2cc(C(F)(F)F)cc3ncnn23)[nH]n1
InChIInChI=1S/C12H9F3N6O2/c13-12(14,15)6-1-9(21-10(2-6)17-5-18-21)16-4-7-3-8(11(22)23)20-19-7/h1-3,5,16H,4H2,(H,19,20)(H,22,23)
InChIKeyODAXAQRKLFUNRD-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.78
Rot. Bonds4

About 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid

5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 166317085) has the molecular formula C12H9F3N6O2 and a molecular weight of 326.24 g/mol. Its IUPAC name is 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid
PubChem CID166317085
Molecular FormulaC12H9F3N6O2
Molecular Weight326.24 g/mol
Exact Mass326.07
IUPAC Name5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNc2cc(C(F)(F)F)cc3ncnn23)[nH]n1
InChIInChI=1S/C12H9F3N6O2/c13-12(14,15)6-1-9(21-10(2-6)17-5-18-21)16-4-7-3-8(11(22)23)20-19-7/h1-3,5,16H,4H2,(H,19,20)(H,22,23)
InChIKeyODAXAQRKLFUNRD-UHFFFAOYSA-N
XLogP1.78
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid (CID 166317085) is 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(CNc2cc(C(F)(F)F)cc3ncnn23)[nH]n1.
What is the InChIKey of 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is ODAXAQRKLFUNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6O2/c13-12(14,15)6-1-9(21-10(2-6)17-5-18-21)16-4-7-3-8(11(22)23)20-19-7/h1-3,5,16H,4H2,(H,19,20)(H,22,23).
What are the key properties of 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid?
5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 326.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]methyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 166317085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).