7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine

C21H21N5O — CID 162670874

IUPAC7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCOCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C21H21N5O/c22-19-13-18(20-21(23-19)25-26-24-20)17(16-9-5-2-6-10-16)11-12-27-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14H2,(H3,22,23,24,25,26)/t17-/m1/s1
InChIKeyGNBHYSWAZWACPR-QGZVFWFLSA-N
MW359.43 g/mol
LogP3.67
Rot. Bonds7

About 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 162670874) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID162670874
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCOCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C21H21N5O/c22-19-13-18(20-21(23-19)25-26-24-20)17(16-9-5-2-6-10-16)11-12-27-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14H2,(H3,22,23,24,25,26)/t17-/m1/s1
InChIKeyGNBHYSWAZWACPR-QGZVFWFLSA-N
XLogP3.67
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
7-phenylmethoxy-2H-triazolo[4,5-b]pyridin-5-amine
CID 6415548
US10214527, Example 17
CID 126650314
7-[[3-(3-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678812
7-[[3-(2-fluorophenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126678929
7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155113178
7-[(1R)-1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162643421
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225
7-[(1R)-3-(benzylamino)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162676863
US10214527, Example 27
CID 126679215
7-(1,3-diphenylpropyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371646
US10214527, Example 36
CID 126677806

Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 162670874) is 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCOCc2ccccc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is GNBHYSWAZWACPR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N5O/c22-19-13-18(20-21(23-19)25-26-24-20)17(16-9-5-2-6-10-16)11-12-27-14-15-7-3-1-4-8-15/h1-10,13,17H,11-12,14H2,(H3,22,23,24,25,26)/t17-/m1/s1.
What are the key properties of 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 359.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 162670874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).