5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide

C15H18N6O2S — CID 44621442

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1
InChIInChI=1S/C15H18N6O2S/c1-3-20(4-2)24(22,23)13-7-12(9-17-10-13)11-5-6-21-14(8-11)18-15(16)19-21/h5-10H,3-4H2,1-2H3,(H2,16,19)
InChIKeyMWWTWWBMSMSISW-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.40
Rot. Bonds5

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide (PubChem CID 44621442) 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-7-yl)-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide
PubChem CID44621442
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1
InChIInChI=1S/C15H18N6O2S/c1-3-20(4-2)24(22,23)13-7-12(9-17-10-13)11-5-6-21-14(8-11)18-15(16)19-21/h5-10H,3-4H2,1-2H3,(H2,16,19)
InChIKeyMWWTWWBMSMSISW-UHFFFAOYSA-N
XLogP1.40
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
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-7-yl)-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide (CID 44621442) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1cncc(-c2ccn3nc(N)nc3c2)c1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is MWWTWWBMSMSISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c1-3-20(4-2)24(22,23)13-7-12(9-17-10-13)11-5-6-21-14(8-11)18-15(16)19-21/h5-10H,3-4H2,1-2H3,(H2,16,19).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 346.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 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-7-yl)-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 44621442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).