7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C22H21F3N6 — CID 145371911

IUPAC7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNCc2cccc(C(F)(F)F)c2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C22H21F3N6/c23-22(24,25)16-8-4-5-14(11-16)13-27-10-9-17(15-6-2-1-3-7-15)18-12-19(26)28-21-20(18)29-31-30-21/h1-8,11-12,17,27H,9-10,13H2,(H3,26,28,29,30,31)
InChIKeyUZFYAFXNNJQMEW-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.27
Rot. Bonds7

About 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145371911) has the molecular formula C22H21F3N6 and a molecular weight of 426.45 g/mol. Its IUPAC name is 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145371911
Molecular FormulaC22H21F3N6
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC Name7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNCc2cccc(C(F)(F)F)c2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C22H21F3N6/c23-22(24,25)16-8-4-5-14(11-16)13-27-10-9-17(15-6-2-1-3-7-15)18-12-19(26)28-21-20(18)29-31-30-21/h1-8,11-12,17,27H,9-10,13H2,(H3,26,28,29,30,31)
InChIKeyUZFYAFXNNJQMEW-UHFFFAOYSA-N
XLogP4.27
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

L-158809
CID 183134
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428
2,6-Diphenyl-8-(1-ethylpropyl)-1-deazapurine
CID 16109429
2-cyclopentyl-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 16109430
2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CID 16109435
2-(2-methylpropyl)-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 44418996
7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 145371765
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10361208
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145371911) is 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCNCc2cccc(C(F)(F)F)c2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is UZFYAFXNNJQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6/c23-22(24,25)16-8-4-5-14(11-16)13-27-10-9-17(15-6-2-1-3-7-15)18-12-19(26)28-21-20(18)29-31-30-21/h1-8,11-12,17,27H,9-10,13H2,(H3,26,28,29,30,31).
What are the key properties of 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 426.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145371911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).