7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C13H10F3N5O — CID 126677806

IUPAC7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc(OC(F)(F)F)cc2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-7(2-4-9)5-8-6-10(17)18-12-11(8)19-21-20-12/h1-4,6H,5H2,(H3,17,18,19,20,21)
InChIKeySATKBRKVBNDNCS-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.42
Rot. Bonds3

About 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126677806) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126677806
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc(OC(F)(F)F)cc2)c2n[nH]nc2n1
InChIInChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-7(2-4-9)5-8-6-10(17)18-12-11(8)19-21-20-12/h1-4,6H,5H2,(H3,17,18,19,20,21)
InChIKeySATKBRKVBNDNCS-UHFFFAOYSA-N
XLogP2.42
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(Piperidin-4-Ylmethyl)-3-[3-(Trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-B]pyridin-5-Amine
CID 53372541
5-(4-Methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 738352
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
6-(4-(Trifluoromethoxy)phenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905973
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391610
7-((2-Fluorobenzyl)oxy)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648996
7-[[3-(3-fluorophenyl)-2-methylphenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649069
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
2-(4-Methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754796
3-(4-Methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 970725
N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 44530406

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126677806) is 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccc(OC(F)(F)F)cc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is SATKBRKVBNDNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c14-13(15,16)22-9-3-1-7(2-4-9)5-8-6-10(17)18-12-11(8)19-21-20-12/h1-4,6H,5H2,(H3,17,18,19,20,21).
What are the key properties of 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 309.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(trifluoromethoxy)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126677806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).