7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

C13H13N5OS — CID 130365213

IUPAC7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(CSc2cc(N)nc3n[nH]nc23)cc1
InChIInChI=1S/C13H13N5OS/c1-19-9-4-2-8(3-5-9)7-20-10-6-11(14)15-13-12(10)16-18-17-13/h2-6H,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyGTWMTMQZOQNMLI-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.24
Rot. Bonds4

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

7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365213) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365213
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCOc1ccc(CSc2cc(N)nc3n[nH]nc23)cc1
InChIInChI=1S/C13H13N5OS/c1-19-9-4-2-8(3-5-9)7-20-10-6-11(14)15-13-12(10)16-18-17-13/h2-6H,7H2,1H3,(H3,14,15,16,17,18)
InChIKeyGTWMTMQZOQNMLI-UHFFFAOYSA-N
XLogP2.24
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2-methylsulfonylphenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126648904
3-(4-Methoxyphenyl)-6-(methylthio)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3244602
6-(4-Methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]triazine
CID 6401148
6-Benzylsulfanyl-3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7118230
ethyl N-[1,4-diamino-2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-6-yl]carbamate
CID 14530468
US10214527, Example 29
CID 126678964
US10981879, Example 105
CID 130365222
US10981879, Example 66
CID 130365228
US10981879, Example 7
CID 130365231
US10981879, Example 49
CID 130365244
US10981879, Example 29
CID 130365275
US10981879, Example 109
CID 130378565

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365213) is 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is COc1ccc(CSc2cc(N)nc3n[nH]nc23)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is GTWMTMQZOQNMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-19-9-4-2-8(3-5-9)7-20-10-6-11(14)15-13-12(10)16-18-17-13/h2-6H,7H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 287.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).