7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

C11H11N7S — CID 130365303

IUPAC7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cccc(CSc2cc(N)nc3n[nH]nc23)n1
InChIInChI=1S/C11H11N7S/c12-8-3-1-2-6(14-8)5-19-7-4-9(13)15-11-10(7)16-18-17-11/h1-4H,5H2,(H2,12,14)(H3,13,15,16,17,18)
InChIKeyXTPPVYGAQUBKAM-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.20
Rot. Bonds3

About 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365303) has the molecular formula C11H11N7S and a molecular weight of 273.32 g/mol. Its IUPAC name is 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365303
Molecular FormulaC11H11N7S
Molecular Weight273.32 g/mol
Exact Mass273.08
IUPAC Name7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cccc(CSc2cc(N)nc3n[nH]nc23)n1
InChIInChI=1S/C11H11N7S/c12-8-3-1-2-6(14-8)5-19-7-4-9(13)15-11-10(7)16-18-17-11/h1-4H,5H2,(H2,12,14)(H3,13,15,16,17,18)
InChIKeyXTPPVYGAQUBKAM-UHFFFAOYSA-N
XLogP1.20
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365303) is 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cccc(CSc2cc(N)nc3n[nH]nc23)n1.
What is the InChIKey of 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is XTPPVYGAQUBKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7S/c12-8-3-1-2-6(14-8)5-19-7-4-9(13)15-11-10(7)16-18-17-11/h1-4H,5H2,(H2,12,14)(H3,13,15,16,17,18).
What are the key properties of 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 273.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-amino-2-pyridinyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).