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

C14H16N6O2S — CID 42623869

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C14H16N6O2S/c1-9(2)19-23(21,22)12-5-11(6-16-7-12)10-3-4-13-17-14(15)18-20(13)8-10/h3-9,19H,1-2H3,(H2,15,18)
InChIKeyZWGKDNRURPZVIH-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.06
Rot. Bonds4

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

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 42623869) has the molecular formula C14H16N6O2S and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID42623869
Molecular FormulaC14H16N6O2S
Molecular Weight332.39 g/mol
Exact Mass332.11
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)NS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1
InChIInChI=1S/C14H16N6O2S/c1-9(2)19-23(21,22)12-5-11(6-16-7-12)10-3-4-13-17-14(15)18-20(13)8-10/h3-9,19H,1-2H3,(H2,15,18)
InChIKeyZWGKDNRURPZVIH-UHFFFAOYSA-N
XLogP1.06
TPSA115.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.06
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-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide (CID 42623869) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide is CC(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-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is ZWGKDNRURPZVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2S/c1-9(2)19-23(21,22)12-5-11(6-16-7-12)10-3-4-13-17-14(15)18-20(13)8-10/h3-9,19H,1-2H3,(H2,15,18).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.06, 4 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-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 42623869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).