7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

C14H15N5O2S2 — CID 130365263

IUPAC7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H15N5O2S2/c1-8(9-5-3-4-6-11(9)23(2,20)21)22-10-7-12(15)16-14-13(10)17-19-18-14/h3-8H,1-2H3,(H3,15,16,17,18,19)
InChIKeyZZHOIDCQXDVNEL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.19
Rot. Bonds4

About 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130365263) has the molecular formula C14H15N5O2S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130365263
Molecular FormulaC14H15N5O2S2
Molecular Weight349.44 g/mol
Exact Mass349.07
IUPAC Name7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H15N5O2S2/c1-8(9-5-3-4-6-11(9)23(2,20)21)22-10-7-12(15)16-14-13(10)17-19-18-14/h3-8H,1-2H3,(H3,15,16,17,18,19)
InChIKeyZZHOIDCQXDVNEL-UHFFFAOYSA-N
XLogP2.19
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130365263) is 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is CC(Sc1cc(N)nc2n[nH]nc12)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is ZZHOIDCQXDVNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S2/c1-8(9-5-3-4-6-11(9)23(2,20)21)22-10-7-12(15)16-14-13(10)17-19-18-14/h3-8H,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 349.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-methylsulfonylphenyl)ethylsulfanyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130365263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).