7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine

C21H22N6 — CID 145371678

IUPAC7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CNCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C21H22N6/c22-19-13-17(20-21(24-19)26-27-25-20)18(16-9-5-2-6-10-16)14-23-12-11-15-7-3-1-4-8-15/h1-10,13,18,23H,11-12,14H2,(H3,22,24,25,26,27)
InChIKeyWYOJDVOEZMHDEC-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.90
Rot. Bonds7

About 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145371678) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145371678
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CNCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C21H22N6/c22-19-13-17(20-21(24-19)26-27-25-20)18(16-9-5-2-6-10-16)14-23-12-11-15-7-3-1-4-8-15/h1-10,13,18,23H,11-12,14H2,(H3,22,24,25,26,27)
InChIKeyWYOJDVOEZMHDEC-UHFFFAOYSA-N
XLogP2.90
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol
CID 158235254
7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 155112998
7-[(1R)-1-phenyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162650581
7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431877
7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130432010
7-[1-phenyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099338
7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371932
7-[3-[[2-(4-fluorophenyl)cyclopropyl]methylamino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099348
7-[1-phenyl-2-(6-phenyl-1,3-benzothiazol-2-yl)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099358
7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676489
7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099281
7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099382

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145371678) is 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CNCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is WYOJDVOEZMHDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c22-19-13-17(20-21(24-19)26-27-25-20)18(16-9-5-2-6-10-16)14-23-12-11-15-7-3-1-4-8-15/h1-10,13,18,23H,11-12,14H2,(H3,22,24,25,26,27).
What are the key properties of 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 358.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145371678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).