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

C18H19F3N6O — CID 53372541

IUPACN-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(NCC4CCNCC4)nc32)c1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)
InChIKeyOZAALIWIRMBCOR-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.13
Rot. Bonds5

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

N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 53372541) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID53372541
Molecular FormulaC18H19F3N6O
Molecular Weight392.39 g/mol
Exact Mass392.16
IUPAC NameN-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3ccc(NCC4CCNCC4)nc32)c1
InChIInChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24)
InChIKeyOZAALIWIRMBCOR-UHFFFAOYSA-N
XLogP3.13
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, 7-methoxy-N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-
CID 53372790
Ethyl-(1-ethyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385738
N*2*-(2-Amino-ethyl)-9-ethyl-N*6*-(3-methoxy-phenyl)-9H-purine-2,6-diamine
CID 21988310
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
N-(4-(4-methylpiperazin-1-yl)benzyl)-3-(4-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 44530412
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372416
(1-Methyl-piperidin-4-ylmethyl)-[3-(3-trifluoromethoxy-phenyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-yl]-amine
CID 53372540
4-[[3-[3-(Trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-yl]amino]cyclohexan-1-ol
CID 53372543
5-(2,7-Diazaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridine
CID 53372544
6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372668
N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372669

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 53372541) is N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is FC(F)(F)Oc1cccc(-n2nnc3ccc(NCC4CCNCC4)nc32)c1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is OZAALIWIRMBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24).
What are the key properties of N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 392.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 53372541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).