6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C15H17N5O2S — CID 42623950

IUPAC6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(C)(C)S(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C15H17N5O2S/c1-15(2,3)23(21,22)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-20(13)9-10/h4-9H,1-3H3,(H2,16,19)
InChIKeyDAJYUBLXABWOKO-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.95
Rot. Bonds2

About 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 42623950) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID42623950
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(C)(C)S(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C15H17N5O2S/c1-15(2,3)23(21,22)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-20(13)9-10/h4-9H,1-3H3,(H2,16,19)
InChIKeyDAJYUBLXABWOKO-UHFFFAOYSA-N
XLogP1.95
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 42623950) is 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(C)(C)S(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1.
What is the InChIKey of 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is DAJYUBLXABWOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-15(2,3)23(21,22)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-20(13)9-10/h4-9H,1-3H3,(H2,16,19).
What are the key properties of 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 331.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butylsulfonyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 42623950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).