7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine

C13H13N5S — CID 130365182

IUPAC7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1
InChIInChI=1S/C13H13N5S/c1-8(9-5-3-2-4-6-9)19-10-7-11(14)15-13-12(10)16-18-17-13/h2-8H,1H3,(H3,14,15,16,17,18)
InChIKeyKMMHTBDEHUXDAX-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.79
Rot. Bonds3

About 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine

7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365182) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365182
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC Name7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1
InChIInChI=1S/C13H13N5S/c1-8(9-5-3-2-4-6-9)19-10-7-11(14)15-13-12(10)16-18-17-13/h2-8H,1H3,(H3,14,15,16,17,18)
InChIKeyKMMHTBDEHUXDAX-UHFFFAOYSA-N
XLogP2.79
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Mpo-IN-4
CID 126650041
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
2-Ethyl-5,7-dimethyl-3-{4-[2-(2H-tetrazol-5-yl)-thiophen-3-yl]-benzyl}-3H-imidazo[4,5-b]pyridine
CID 19802473
7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 118948999
US10214527, Example 17
CID 126650314
US10214527, Example 23
CID 126679246
7-((2-Fluorobenzyl)thio)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130365202
7-[[5-(difluoromethyl)-2-phenyltriazol-4-yl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130365266
US10214527, Example 25
CID 135341282
US10214527, Example 26
CID 135341285
Butyl-ethyl-[3-(4-isopropyl-2-methylsulfanyl-phenyl)-5-methyl-3H-[1,2,3]triazolo[4,5-b]pyridin-7-yl]-amine
CID 10739593
N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 53316790

Frequently Asked Questions

What is the IUPAC name of 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365182) is 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine is CC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1.
What is the InChIKey of 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is KMMHTBDEHUXDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-8(9-5-3-2-4-6-9)19-10-7-11(14)15-13-12(10)16-18-17-13/h2-8H,1H3,(H3,14,15,16,17,18).
What are the key properties of 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 271.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-phenylethylsulfanyl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).