5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide

C15H18N6O2S — CID 42623223

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-21(13)9-10/h4-9,20H,1-3H3,(H2,16,19)
InChIKeyYKJGGEMOMSRCDT-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.45
Rot. Bonds3

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide (PubChem CID 42623223) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide
PubChem CID42623223
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-21(13)9-10/h4-9,20H,1-3H3,(H2,16,19)
InChIKeyYKJGGEMOMSRCDT-UHFFFAOYSA-N
XLogP1.45
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide (CID 42623223) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide is CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide?
The InChIKey is YKJGGEMOMSRCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(7-17-8-12)10-4-5-13-18-14(16)19-21(13)9-10/h4-9,20H,1-3H3,(H2,16,19).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide is sourced from PubChem (CID 42623223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).