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

C17H20N6OS — CID 130365184

IUPAC7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2CN2CCOCC2)c2n[nH]nc2n1
InChIInChI=1S/C17H20N6OS/c18-15-9-14(16-17(19-15)21-22-20-16)25-11-13-4-2-1-3-12(13)10-23-5-7-24-8-6-23/h1-4,9H,5-8,10-11H2,(H3,18,19,20,21,22)
InChIKeyQEHCGDCXPRFNOI-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.06
Rot. Bonds5

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

7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365184) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365184
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2ccccc2CN2CCOCC2)c2n[nH]nc2n1
InChIInChI=1S/C17H20N6OS/c18-15-9-14(16-17(19-15)21-22-20-16)25-11-13-4-2-1-3-12(13)10-23-5-7-24-8-6-23/h1-4,9H,5-8,10-11H2,(H3,18,19,20,21,22)
InChIKeyQEHCGDCXPRFNOI-UHFFFAOYSA-N
XLogP2.06
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365184) is 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2ccccc2CN2CCOCC2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is QEHCGDCXPRFNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c18-15-9-14(16-17(19-15)21-22-20-16)25-11-13-4-2-1-3-12(13)10-23-5-7-24-8-6-23/h1-4,9H,5-8,10-11H2,(H3,18,19,20,21,22).
What are the key properties of 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 356.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(morpholin-4-ylmethyl)phenyl]methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).