7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine

C26H23N5 — CID 126679427

IUPAC7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCCc1cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2n[nH]nc12
InChIInChI=1S/C26H23N5/c1-2-19-18-23(27-25-24(19)29-31-30-25)28-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,2H2,1H3,(H2,27,28,29,30,31)
InChIKeyYAIKBPUVQJCUOS-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.32
Rot. Bonds6

About 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine

7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679427) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679427
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCCc1cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2n[nH]nc12
InChIInChI=1S/C26H23N5/c1-2-19-18-23(27-25-24(19)29-31-30-25)28-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,2H2,1H3,(H2,27,28,29,30,31)
InChIKeyYAIKBPUVQJCUOS-UHFFFAOYSA-N
XLogP5.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

L-158809
CID 183134
FK-739 free acid
CID 9801627
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
7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 145371765
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
2,6,8-triphenyl-9H-purine
CID 11462181

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine (CID 126679427) is 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine is CCc1cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2n[nH]nc12.
What is the InChIKey of 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is YAIKBPUVQJCUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-2-19-18-23(27-25-24(19)29-31-30-25)28-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-18H,2H2,1H3,(H2,27,28,29,30,31).
What are the key properties of 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine?
7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 405.51 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-trityl-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).