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

C12H9Cl2N5S — CID 118948999

IUPAC7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2c(Cl)cccc2Cl)c2n[nH]nc2n1
InChIInChI=1S/C12H9Cl2N5S/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)
InChIKeyDCXFPBLYKWGHPR-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.53
Rot. Bonds3

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

7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 118948999) has the molecular formula C12H9Cl2N5S and a molecular weight of 326.21 g/mol. Its IUPAC name is 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID118948999
Molecular FormulaC12H9Cl2N5S
Molecular Weight326.21 g/mol
Exact Mass325.00
IUPAC Name7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(SCc2c(Cl)cccc2Cl)c2n[nH]nc2n1
InChIInChI=1S/C12H9Cl2N5S/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19)
InChIKeyDCXFPBLYKWGHPR-UHFFFAOYSA-N
XLogP3.53
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 118948999) is 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(SCc2c(Cl)cccc2Cl)c2n[nH]nc2n1.
What is the InChIKey of 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DCXFPBLYKWGHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5S/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)16-12-11(9)17-19-18-12/h1-4H,5H2,(H3,15,16,17,18,19).
What are the key properties of 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 326.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dichlorophenyl)methylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 118948999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).