[3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol

C44H35N5O — CID 126676404

IUPAC[3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol
SMILESOCc1cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2c1nnn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H35N5O/c50-32-33-31-40(46-43(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)45-42-41(33)47-48-49(42)44(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-31,50H,32H2,(H,45,46)
InChIKeyALGLJABESHUZCX-UHFFFAOYSA-N
MW649.80 g/mol
LogP8.56
Rot. Bonds10

About [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol

[3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol (PubChem CID 126676404) has the molecular formula C44H35N5O and a molecular weight of 649.80 g/mol. Its IUPAC name is [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol
PubChem CID126676404
Molecular FormulaC44H35N5O
Molecular Weight649.80 g/mol
Exact Mass649.28
IUPAC Name[3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol
SMILESOCc1cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2c1nnn2C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H35N5O/c50-32-33-31-40(46-43(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)45-42-41(33)47-48-49(42)44(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-31,50H,32H2,(H,45,46)
InChIKeyALGLJABESHUZCX-UHFFFAOYSA-N
XLogP8.56
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 58.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-[6-[4-(1-Aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]-2-fluorophenyl]methanol
CID 56645181
7-[(Z)-3-bromo-1-iodoprop-1-enyl]-N,3-ditrityltriazolo[4,5-b]pyridin-5-amine
CID 138712598
2-[2-(4-Fluoroanilino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1-phenylethanol
CID 59276378
[4-[3-[Fluoro(phenyl)methyl]triazolo[4,5-b]pyridin-5-yl]phenyl]methanol
CID 89824334
1-[3-[(3-Benzyl-5-methyltriazolo[4,5-d]pyrimidin-7-yl)amino]phenyl]ethanol
CID 3231406
(2-butyl-5-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-7-yl)methanol
CID 22100403
[4-[3-(1,2-Dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanol
CID 123503951
[2-[4-(1-Aminocyclobutyl)phenyl]-3-phenyl-5,6-didehydroimidazo[1,2-a]pyridin-7-yl]methanol
CID 123892848
3,6-Ditrityltriazolo[4,5-b]pyridin-5-amine
CID 126649422
7-bromo-N,3-ditrityltriazolo[4,5-b]pyridin-5-amine
CID 126649683
7-benzyl-N,3-ditrityltriazolo[4,5-b]pyridin-5-amine
CID 126650043
[3-Amino-2-[amino(trityl)amino]-6-(tritylamino)-4-pyridinyl]methanol
CID 126676408

Frequently Asked Questions

What is the IUPAC name of [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol?
The IUPAC name of [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol (CID 126676404) is [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol.
What is the SMILES notation for [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol?
The canonical SMILES for [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol is OCc1cc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)nc2c1nnn2C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol?
The InChIKey is ALGLJABESHUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35N5O/c50-32-33-31-40(46-43(34-19-7-1-8-20-34,35-21-9-2-10-22-35)36-23-11-3-12-24-36)45-42-41(33)47-48-49(42)44(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39/h1-31,50H,32H2,(H,45,46).
What are the key properties of [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol?
[3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol has a molecular weight of 649.80 g/mol, XLogP of 8.56, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]methanol is sourced from PubChem (CID 126676404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).