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

C30H34N6 — CID 145371843

IUPAC7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC23CC4CC(C2)CC(c2ccccc2)(C4)C3)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C30H34N6/c31-26-14-25(27-28(33-26)35-36-34-27)24(22-7-3-1-4-8-22)11-12-32-30-17-20-13-21(18-30)16-29(15-20,19-30)23-9-5-2-6-10-23/h1-10,14,20-21,24,32H,11-13,15-19H2,(H3,31,33,34,35,36)
InChIKeyGHCFVPXTOXLROD-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.34
Rot. Bonds7

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

7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145371843) has the molecular formula C30H34N6 and a molecular weight of 478.64 g/mol. Its IUPAC name is 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145371843
Molecular FormulaC30H34N6
Molecular Weight478.64 g/mol
Exact Mass478.28
IUPAC Name7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCNC23CC4CC(C2)CC(c2ccccc2)(C4)C3)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C30H34N6/c31-26-14-25(27-28(33-26)35-36-34-27)24(22-7-3-1-4-8-22)11-12-32-30-17-20-13-21(18-30)16-29(15-20,19-30)23-9-5-2-6-10-23/h1-10,14,20-21,24,32H,11-13,15-19H2,(H3,31,33,34,35,36)
InChIKeyGHCFVPXTOXLROD-UHFFFAOYSA-N
XLogP5.34
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099281
7-[3-[(4-butyl-1-bicyclo[2.2.2]octanyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371661
7-[3-[[(1S)-3,3-dimethyl-1,2-dihydroinden-1-yl]amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099344
7-[1-phenyl-3-[[(1S,3R)-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099329
7-[1-phenyl-3-[(2-phenyl-2,3-dihydro-1H-inden-1-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371847
7-[1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099382
7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371932
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-[1-phenyl-2-(2-phenylethylamino)ethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371678
7-[(1R)-3-[oxolan-2-ylmethyl-(4-phenyl-1-bicyclo[2.2.2]octanyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371657
7-[1-(5-fluoro-3-pyridinyl)-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431144
7-[4-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 158745194

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145371843) is 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCNC23CC4CC(C2)CC(c2ccccc2)(C4)C3)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is GHCFVPXTOXLROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6/c31-26-14-25(27-28(33-26)35-36-34-27)24(22-7-3-1-4-8-22)11-12-32-30-17-20-13-21(18-30)16-29(15-20,19-30)23-9-5-2-6-10-23/h1-10,14,20-21,24,32H,11-13,15-19H2,(H3,31,33,34,35,36).
What are the key properties of 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 478.64 g/mol, XLogP of 5.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-3-[(3-phenyl-1-adamantyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145371843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).