N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide

C14H10N6O2S — CID 99800703

IUPACN-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide
SMILESO=S(=O)(Nc1nc2ncccn2n1)c1cnc2ccccc2c1
InChIInChI=1S/C14H10N6O2S/c21-23(22,11-8-10-4-1-2-5-12(10)16-9-11)19-13-17-14-15-6-3-7-20(14)18-13/h1-9H,(H,18,19)
InChIKeyYWOGMLMRUGVDNC-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.47
Rot. Bonds3

About N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide

N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide (PubChem CID 99800703) has the molecular formula C14H10N6O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide.

Molecular Properties

Compound NameN-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide
PubChem CID99800703
Molecular FormulaC14H10N6O2S
Molecular Weight326.34 g/mol
Exact Mass326.06
IUPAC NameN-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide
SMILESO=S(=O)(Nc1nc2ncccn2n1)c1cnc2ccccc2c1
InChIInChI=1S/C14H10N6O2S/c21-23(22,11-8-10-4-1-2-5-12(10)16-9-11)19-13-17-14-15-6-3-7-20(14)18-13/h1-9H,(H,18,19)
InChIKeyYWOGMLMRUGVDNC-UHFFFAOYSA-N
XLogP1.47
TPSA102.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide?
The IUPAC name of N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide (CID 99800703) is N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide.
What is the SMILES notation for N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide?
The canonical SMILES for N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide is O=S(=O)(Nc1nc2ncccn2n1)c1cnc2ccccc2c1.
What is the InChIKey of N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide?
The InChIKey is YWOGMLMRUGVDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O2S/c21-23(22,11-8-10-4-1-2-5-12(10)16-9-11)19-13-17-14-15-6-3-7-20(14)18-13/h1-9H,(H,18,19).
What are the key properties of N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide?
N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)quinoline-3-sulfonamide is sourced from PubChem (CID 99800703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).