7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C18H14FN5 — CID 126678957

IUPAC7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(-c3cccc(F)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C18H14FN5/c19-15-6-2-5-13(9-15)12-4-1-3-11(7-12)8-14-10-16(20)21-18-17(14)22-24-23-18/h1-7,9-10H,8H2,(H3,20,21,22,23,24)
InChIKeyCBCXLSJDXOMJRA-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.33
Rot. Bonds3

About 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126678957) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126678957
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cccc(-c3cccc(F)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C18H14FN5/c19-15-6-2-5-13(9-15)12-4-1-3-11(7-12)8-14-10-16(20)21-18-17(14)22-24-23-18/h1-7,9-10H,8H2,(H3,20,21,22,23,24)
InChIKeyCBCXLSJDXOMJRA-UHFFFAOYSA-N
XLogP3.33
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-158809
CID 183134
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
2,6-Diphenyl-8-methyl-1-deazapurine
CID 16109426
2,6-Dphenyl-8-propyl-1-deazapurine
CID 16109427
2,6-diphenyl-8-tButyl-1-deazapurine
CID 16109434
Mpo-IN-4
CID 126650041

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126678957) is 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cccc(-c3cccc(F)c3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is CBCXLSJDXOMJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-15-6-2-5-13(9-15)12-4-1-3-11(7-12)8-14-10-16(20)21-18-17(14)22-24-23-18/h1-7,9-10H,8H2,(H3,20,21,22,23,24).
What are the key properties of 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 319.34 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(3-fluorophenyl)phenyl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126678957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).