8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H14N4O2S — CID 59612357

IUPAC8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccn2nc(Nc3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C14H14N4O2S/c1-10-4-3-9-18-13(10)16-14(17-18)15-11-5-7-12(8-6-11)21(2,19)20/h3-9H,1-2H3,(H,15,17)
InChIKeyJNVKOMRMWYVIMR-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.18
Rot. Bonds3

About 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 59612357) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID59612357
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccn2nc(Nc3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C14H14N4O2S/c1-10-4-3-9-18-13(10)16-14(17-18)15-11-5-7-12(8-6-11)21(2,19)20/h3-9H,1-2H3,(H,15,17)
InChIKeyJNVKOMRMWYVIMR-UHFFFAOYSA-N
XLogP2.18
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 59612357) is 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cccn2nc(Nc3ccc(S(C)(=O)=O)cc3)nc12.
What is the InChIKey of 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JNVKOMRMWYVIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-4-3-9-18-13(10)16-14(17-18)15-11-5-7-12(8-6-11)21(2,19)20/h3-9H,1-2H3,(H,15,17).
What are the key properties of 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 302.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 59612357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).