7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H11N5O2S — CID 44621454

IUPAC7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1
InChIInChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(6-14-7-10)8-2-3-17-11(5-8)15-12(13)16-17/h2-7H,1H3,(H2,13,16)
InChIKeyHONAHTYKAJCBTP-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.78
Rot. Bonds2

About 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 44621454) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID44621454
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1
InChIInChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(6-14-7-10)8-2-3-17-11(5-8)15-12(13)16-17/h2-7H,1H3,(H2,13,16)
InChIKeyHONAHTYKAJCBTP-UHFFFAOYSA-N
XLogP0.78
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 44621454) is 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1.
What is the InChIKey of 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HONAHTYKAJCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c1-20(18,19)10-4-9(6-14-7-10)8-2-3-17-11(5-8)15-12(13)16-17/h2-7H,1H3,(H2,13,16).
What are the key properties of 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 289.32 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 44621454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).