7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine

C12H11N5S — CID 130375477

IUPAC7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C12H11N5S/c13-10-6-9(11-12(14-10)16-17-15-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)
InChIKeyUOFDCIUPHFBQST-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.23
Rot. Bonds3

About 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine

7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130375477) has the molecular formula C12H11N5S and a molecular weight of 257.32 g/mol. Its IUPAC name is 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130375477
Molecular FormulaC12H11N5S
Molecular Weight257.32 g/mol
Exact Mass257.07
IUPAC Name7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C12H11N5S/c13-10-6-9(11-12(14-10)16-17-15-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17)
InChIKeyUOFDCIUPHFBQST-UHFFFAOYSA-N
XLogP2.23
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.23
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
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
N-(3-fluorophenyl)-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 53316790
N-phenyl-6-(2H-tetrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 53317961
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225

Frequently Asked Questions

What is the IUPAC name of 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine (CID 130375477) is 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is UOFDCIUPHFBQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S/c13-10-6-9(11-12(14-10)16-17-15-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,13,14,15,16,17).
What are the key properties of 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine?
7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 257.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylsulfanyl-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130375477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).