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

C18H18ClF3N6O — CID 53372668

IUPAC6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3cc(Cl)c(NCC4CCNCC4)nc32)c1
InChIInChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25)
InChIKeyWNTHOTLXPLDFPC-UHFFFAOYSA-N
MW426.83 g/mol
LogP3.78
Rot. Bonds5

About 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine

6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (PubChem CID 53372668) has the molecular formula C18H18ClF3N6O and a molecular weight of 426.83 g/mol. Its IUPAC name is 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
PubChem CID53372668
Molecular FormulaC18H18ClF3N6O
Molecular Weight426.83 g/mol
Exact Mass426.12
IUPAC Name6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
SMILESFC(F)(F)Oc1cccc(-n2nnc3cc(Cl)c(NCC4CCNCC4)nc32)c1
InChIInChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25)
InChIKeyWNTHOTLXPLDFPC-UHFFFAOYSA-N
XLogP3.78
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.83
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine with MolForge

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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
3H-1,2,3-Triazolo[4,5-b]pyridin-5-amine, 7-methoxy-N-(4-piperidinylmethyl)-3-[3-(trifluoromethoxy)phenyl]-
CID 53372790
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
N-(7-azaspiro[3.5]nonan-2-yl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372669
N-(7-azaspiro[3.5]nonan-2-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372670
N-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372791
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 53372792
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391610
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391625

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine (CID 53372668) is 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is FC(F)(F)Oc1cccc(-n2nnc3cc(Cl)c(NCC4CCNCC4)nc32)c1.
What is the InChIKey of 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WNTHOTLXPLDFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N6O/c19-14-9-15-17(25-16(14)24-10-11-4-6-23-7-5-11)28(27-26-15)12-2-1-3-13(8-12)29-18(20,21)22/h1-3,8-9,11,23H,4-7,10H2,(H,24,25).
What are the key properties of 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine?
6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine has a molecular weight of 426.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 53372668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).