7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

C27H30N6O — CID 155113178

IUPAC7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC23CCC(c4ccccc4)(CC2)OC3)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C27H30N6O/c28-23-17-22(24-25(30-23)32-33-31-24)21(19-7-3-1-4-8-19)11-16-29-26-12-14-27(15-13-26,34-18-26)20-9-5-2-6-10-20/h1-10,17,21,29H,11-16,18H2,(H3,28,30,31,32,33)
InChIKeyAAEMUZZPYFQYFE-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.29
Rot. Bonds7

About 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155113178) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155113178
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC23CCC(c4ccccc4)(CC2)OC3)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C27H30N6O/c28-23-17-22(24-25(30-23)32-33-31-24)21(19-7-3-1-4-8-19)11-16-29-26-12-14-27(15-13-26,34-18-26)20-9-5-2-6-10-20/h1-10,17,21,29H,11-16,18H2,(H3,28,30,31,32,33)
InChIKeyAAEMUZZPYFQYFE-UHFFFAOYSA-N
XLogP4.29
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162670874
7-[1-[3-(difluoromethoxy)phenyl]-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371801
1-N'-methyl-1'-(2-methyl-1,2,4-triazol-3-yl)spiro[5-oxa-8,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-6,4'-cyclohexane]-1',8-diamine
CID 89840121
7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431768
7-(1-phenyl-3-phenylmethoxypropyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431938
7-[3-[(2-phenoxyphenyl)methylamino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371720
1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol
CID 145371742
7-[1-phenyl-3-[[(3S,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371863
[3-[1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-[(4-phenylcyclohexyl)amino]propyl]phenyl]methanol
CID 145371876
[1-[[3-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-3-phenylpropyl]amino]-4-phenylcyclohexyl]methanol
CID 145371889
7-[3-[(3-methoxy-4-phenyl-1-bicyclo[2.2.2]octanyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371895

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 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) is 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCNC23CCC(c4ccccc4)(CC2)OC3)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is AAEMUZZPYFQYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c28-23-17-22(24-25(30-23)32-33-31-24)21(19-7-3-1-4-8-19)11-16-29-26-12-14-27(15-13-26,34-18-26)20-9-5-2-6-10-20/h1-10,17,21,29H,11-16,18H2,(H3,28,30,31,32,33).
What are the key properties of 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 454.58 g/mol, XLogP of 4.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155113178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).