2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol

C19H17N5OS — CID 130365235

IUPAC2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol
SMILESNc1cc(SC(c2ccccc2)C(O)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C19H17N5OS/c20-15-11-14(16-19(21-15)23-24-22-16)26-18(13-9-5-2-6-10-13)17(25)12-7-3-1-4-8-12/h1-11,17-18,25H,(H3,20,21,22,23,24)
InChIKeyBZFJTOHCSIUIKC-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.50
Rot. Bonds5

About 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol (PubChem CID 130365235) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol.

Molecular Properties

Compound Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol
PubChem CID130365235
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol
SMILESNc1cc(SC(c2ccccc2)C(O)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C19H17N5OS/c20-15-11-14(16-19(21-15)23-24-22-16)26-18(13-9-5-2-6-10-13)17(25)12-7-3-1-4-8-12/h1-11,17-18,25H,(H3,20,21,22,23,24)
InChIKeyBZFJTOHCSIUIKC-UHFFFAOYSA-N
XLogP3.50
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol with MolForge

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Related Compounds

US10981879, Example 14
CID 118949066
US10981879, Example 128
CID 118949160
US10981879, Example 126
CID 118949246
US10981879, Example 25
CID 130365149
US10981879, Example 2
CID 130365182
US10981879, Example 45
CID 130365289
US10981879, Example 1
CID 130375477
[5-(2,6-Dimethyl-8-pentan-3-ylimidazo[1,2-b]pyridazin-3-yl)-4-methylthiophen-2-yl]-phenylmethanol
CID 57932918
[4-[2-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-2-phenylethyl]phenyl]methanol
CID 130431991
1-Phenyl-3-[3-trityl-5-(tritylamino)triazolo[4,5-b]pyridin-7-yl]propan-1-ol
CID 130431992
1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol
CID 130432018
1-[5-(tritylamino)-2H-triazolo[4,5-b]pyridin-7-yl]butan-1-ol
CID 130432020

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol?
The IUPAC name of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol (CID 130365235) is 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol.
What is the SMILES notation for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol?
The canonical SMILES for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol is Nc1cc(SC(c2ccccc2)C(O)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol?
The InChIKey is BZFJTOHCSIUIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c20-15-11-14(16-19(21-15)23-24-22-16)26-18(13-9-5-2-6-10-13)17(25)12-7-3-1-4-8-12/h1-11,17-18,25H,(H3,20,21,22,23,24).
What are the key properties of 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol?
2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol has a molecular weight of 363.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-1,2-diphenylethanol is sourced from PubChem (CID 130365235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).