N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

C17H16F3N5O2 — CID 53372416

IUPACN-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CCOCC4)nc32)c1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-2-12(10-13)25-16-14(23-24-25)4-5-15(22-16)21-11-6-8-26-9-7-11/h1-5,10-11H,6-9H2,(H,21,22)
InChIKeyUELXFWTWVLOSEX-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.31
Rot. Bonds4

About N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 53372416) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID53372416
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC NameN-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CCOCC4)nc32)c1
InChIInChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-2-12(10-13)25-16-14(23-24-25)4-5-15(22-16)21-11-6-8-26-9-7-11/h1-5,10-11H,6-9H2,(H,21,22)
InChIKeyUELXFWTWVLOSEX-UHFFFAOYSA-N
XLogP3.31
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, 7-methoxy-N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-
CID 53372790
6-N-cyclohexyl-2-N-[4-morpholin-4-yl-2-(trifluoromethoxy)phenyl]-7H-purine-2,6-diamine
CID 69181574
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 6419809
2-[4-(3-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 11220975
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738
N*2*-(4-Amino-cyclohexyl)-9-ethyl-N*6*-(3-methoxy-phenyl)-9H-purine-2,6-diamine
CID 21988220
N*2*-(2-Amino-ethyl)-9-ethyl-N*6*-(3-methoxy-phenyl)-9H-purine-2,6-diamine
CID 21988310
N*2*-((1R,2S)-2-Amino-cyclohexyl)-9-ethyl-N*6*-(3-methoxy-phenyl)-9H-purine-2,6-diamine
CID 44385797
2-[2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]oxyethanamine
CID 46917845
3-[2-(Difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzimidazol-4-yl]oxypropan-1-amine
CID 46917848

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 53372416) is N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is FC(F)(F)Oc1cccc(-n2nnc3ccc(NC4CCOCC4)nc32)c1.
What is the InChIKey of N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is UELXFWTWVLOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-2-12(10-13)25-16-14(23-24-25)4-5-15(22-16)21-11-6-8-26-9-7-11/h1-5,10-11H,6-9H2,(H,21,22).
What are the key properties of N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 379.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 53372416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).