6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H24N4O3S — CID 121260940

IUPAC6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc2nc(NCc3ccc(C4CCOCC4)cc3)nn2c1
InChIInChI=1S/C24H24N4O3S/c29-32(30,21-4-2-1-3-5-21)22-10-11-23-26-24(27-28(23)17-22)25-16-18-6-8-19(9-7-18)20-12-14-31-15-13-20/h1-11,17,20H,12-16H2,(H,25,27)
InChIKeyMYGAOZURYIQJJC-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.07
Rot. Bonds6

About 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 121260940) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID121260940
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESO=S(=O)(c1ccccc1)c1ccc2nc(NCc3ccc(C4CCOCC4)cc3)nn2c1
InChIInChI=1S/C24H24N4O3S/c29-32(30,21-4-2-1-3-5-21)22-10-11-23-26-24(27-28(23)17-22)25-16-18-6-8-19(9-7-18)20-12-14-31-15-13-20/h1-11,17,20H,12-16H2,(H,25,27)
InChIKeyMYGAOZURYIQJJC-UHFFFAOYSA-N
XLogP4.07
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 121260940) is 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is O=S(=O)(c1ccccc1)c1ccc2nc(NCc3ccc(C4CCOCC4)cc3)nn2c1.
What is the InChIKey of 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MYGAOZURYIQJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-32(30,21-4-2-1-3-5-21)22-10-11-23-26-24(27-28(23)17-22)25-16-18-6-8-19(9-7-18)20-12-14-31-15-13-20/h1-11,17,20H,12-16H2,(H,25,27).
What are the key properties of 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 448.55 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-[[4-(oxan-4-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 121260940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).