6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H15BrN4S — CID 113499143

IUPAC6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCSCC(C)Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C11H15BrN4S/c1-3-17-7-8(2)13-11-14-10-5-4-9(12)6-16(10)15-11/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyNRDLXQBPPQYDNA-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.05
Rot. Bonds5

About 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 113499143) has the molecular formula C11H15BrN4S and a molecular weight of 315.24 g/mol. Its IUPAC name is 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID113499143
Molecular FormulaC11H15BrN4S
Molecular Weight315.24 g/mol
Exact Mass314.02
IUPAC Name6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCCSCC(C)Nc1nc2ccc(Br)cn2n1
InChIInChI=1S/C11H15BrN4S/c1-3-17-7-8(2)13-11-14-10-5-4-9(12)6-16(10)15-11/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyNRDLXQBPPQYDNA-UHFFFAOYSA-N
XLogP3.05
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 113499143) is 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CCSCC(C)Nc1nc2ccc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is NRDLXQBPPQYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4S/c1-3-17-7-8(2)13-11-14-10-5-4-9(12)6-16(10)15-11/h4-6,8H,3,7H2,1-2H3,(H,13,15).
What are the key properties of 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 315.24 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-ethylsulfanylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 113499143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).