7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C12H12F3N7O — CID 118949729

IUPAC7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCCn1nc(C(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C12H12F3N7O/c1-2-22-6(3-8(20-22)12(13,14)15)5-23-7-4-9(16)17-11-10(7)18-21-19-11/h3-4H,2,5H2,1H3,(H3,16,17,18,19,21)
InChIKeyINCNBJIHKYAOSL-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.75
Rot. Bonds4

About 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118949729) has the molecular formula C12H12F3N7O and a molecular weight of 327.27 g/mol. Its IUPAC name is 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118949729
Molecular FormulaC12H12F3N7O
Molecular Weight327.27 g/mol
Exact Mass327.11
IUPAC Name7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCCn1nc(C(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C12H12F3N7O/c1-2-22-6(3-8(20-22)12(13,14)15)5-23-7-4-9(16)17-11-10(7)18-21-19-11/h3-4H,2,5H2,1H3,(H3,16,17,18,19,21)
InChIKeyINCNBJIHKYAOSL-UHFFFAOYSA-N
XLogP1.75
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
7-[(1-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118949632
7-[(5-methyl-2-phenyltriazol-4-yl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950056
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118950274
7-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648798
7-[(2-pyrazol-1-ylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649120
[5-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)oxymethyl]-2-phenyltriazol-4-yl]methanol
CID 130365899
3-Methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 75201422
3-Methyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 75201471
US10336761, Example 45
CID 126484406
2-[6-[4-Chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxytriazolo[4,5-b]pyridin-1-yl]propanamide
CID 53706105
2-[6-[1-Methyl-4-(trifluoromethyl)pyrazol-3-yl]oxytriazolo[4,5-b]pyridin-1-yl]propanoic acid
CID 53713977

Frequently Asked Questions

What is the IUPAC name of 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118949729) is 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is CCn1nc(C(F)(F)F)cc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is INCNBJIHKYAOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N7O/c1-2-22-6(3-8(20-22)12(13,14)15)5-23-7-4-9(16)17-11-10(7)18-21-19-11/h3-4H,2,5H2,1H3,(H3,16,17,18,19,21).
What are the key properties of 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 327.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118949729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).