2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C14H13ClN4O2S — CID 67479154

IUPAC2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1cccc(Nc2cccn3nc(Cl)nc23)c1S(C)(=O)=O
InChIInChI=1S/C14H13ClN4O2S/c1-9-5-3-6-10(12(9)22(2,20)21)16-11-7-4-8-19-13(11)17-14(15)18-19/h3-8,16H,1-2H3
InChIKeyCTWQSSNZZSNWLM-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 67479154) has the molecular formula C14H13ClN4O2S and a molecular weight of 336.80 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID67479154
Molecular FormulaC14H13ClN4O2S
Molecular Weight336.80 g/mol
Exact Mass336.04
IUPAC Name2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCc1cccc(Nc2cccn3nc(Cl)nc23)c1S(C)(=O)=O
InChIInChI=1S/C14H13ClN4O2S/c1-9-5-3-6-10(12(9)22(2,20)21)16-11-7-4-8-19-13(11)17-14(15)18-19/h3-8,16H,1-2H3
InChIKeyCTWQSSNZZSNWLM-UHFFFAOYSA-N
XLogP2.84
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 67479154) is 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is Cc1cccc(Nc2cccn3nc(Cl)nc23)c1S(C)(=O)=O.
What is the InChIKey of 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is CTWQSSNZZSNWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2S/c1-9-5-3-6-10(12(9)22(2,20)21)16-11-7-4-8-19-13(11)17-14(15)18-19/h3-8,16H,1-2H3.
What are the key properties of 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 336.80 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-2-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 67479154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).