7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine

C21H21N5 — CID 162659225

IUPAC7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C21H21N5/c22-19-14-18(20-21(23-19)25-26-24-20)17(16-11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14,17H,7,10,13H2,(H3,22,23,24,25,26)/t17-/m1/s1
InChIKeyLMOGAFYXZVTWSB-QGZVFWFLSA-N
MW343.43 g/mol
LogP4.09
Rot. Bonds6

About 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 162659225) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID162659225
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C21H21N5/c22-19-14-18(20-21(23-19)25-26-24-20)17(16-11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14,17H,7,10,13H2,(H3,22,23,24,25,26)/t17-/m1/s1
InChIKeyLMOGAFYXZVTWSB-QGZVFWFLSA-N
XLogP4.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

L-158809
CID 183134
Luf-5962
CID 11617054
FK-739 free acid
CID 9801627
2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
13-Amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile
CID 699043
8-cyclohexyl-2,6-diphenyl-9H-purine
CID 11523232
8-isopropyl-2,6-diphenyl-9H-purine
CID 11536936
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

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 162659225) is 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is LMOGAFYXZVTWSB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N5/c22-19-14-18(20-21(23-19)25-26-24-20)17(16-11-5-2-6-12-16)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,14,17H,7,10,13H2,(H3,22,23,24,25,26)/t17-/m1/s1.
What are the key properties of 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 343.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 162659225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).