2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

C20H19N5O4S2 — CID 67479025

IUPAC2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESCS(=O)(=O)c1ccccc1Nc1nc2c(Nc3ccccc3S(C)(=O)=O)cccn2n1
InChIInChI=1S/C20H19N5O4S2/c1-30(26,27)17-11-5-3-8-14(17)21-16-10-7-13-25-19(16)23-20(24-25)22-15-9-4-6-12-18(15)31(2,28)29/h3-13,21H,1-2H3,(H,22,24)
InChIKeyMIUHSYGUAWKOPS-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.02
Rot. Bonds6

About 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine

2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (PubChem CID 67479025) has the molecular formula C20H19N5O4S2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
PubChem CID67479025
Molecular FormulaC20H19N5O4S2
Molecular Weight457.54 g/mol
Exact Mass457.09
IUPAC Name2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine
SMILESCS(=O)(=O)c1ccccc1Nc1nc2c(Nc3ccccc3S(C)(=O)=O)cccn2n1
InChIInChI=1S/C20H19N5O4S2/c1-30(26,27)17-11-5-3-8-14(17)21-16-10-7-13-25-19(16)23-20(24-25)22-15-9-4-6-12-18(15)31(2,28)29/h3-13,21H,1-2H3,(H,22,24)
InChIKeyMIUHSYGUAWKOPS-UHFFFAOYSA-N
XLogP3.02
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The IUPAC name of 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine (CID 67479025) is 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is CS(=O)(=O)c1ccccc1Nc1nc2c(Nc3ccccc3S(C)(=O)=O)cccn2n1.
What is the InChIKey of 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
The InChIKey is MIUHSYGUAWKOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S2/c1-30(26,27)17-11-5-3-8-14(17)21-16-10-7-13-25-19(16)23-20(24-25)22-15-9-4-6-12-18(15)31(2,28)29/h3-13,21H,1-2H3,(H,22,24).
What are the key properties of 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine?
2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine has a molecular weight of 457.54 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-2,8-diamine is sourced from PubChem (CID 67479025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).