3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide

C20H15N7OS — CID 121258443

IUPAC3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide
SMILESNS(=O)c1cccc(Nc2nc3cncc(-c4cnc5ccccc5c4)n3n2)c1
InChIInChI=1S/C20H15N7OS/c21-29(28)16-6-3-5-15(9-16)24-20-25-19-12-22-11-18(27(19)26-20)14-8-13-4-1-2-7-17(13)23-10-14/h1-12H,21H2,(H,24,26)
InChIKeyWAZCDAMTVDIIGR-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.06
Rot. Bonds4

About 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide

3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide (PubChem CID 121258443) has the molecular formula C20H15N7OS and a molecular weight of 401.46 g/mol. Its IUPAC name is 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide.

Molecular Properties

Compound Name3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide
PubChem CID121258443
Molecular FormulaC20H15N7OS
Molecular Weight401.46 g/mol
Exact Mass401.11
IUPAC Name3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide
SMILESNS(=O)c1cccc(Nc2nc3cncc(-c4cnc5ccccc5c4)n3n2)c1
InChIInChI=1S/C20H15N7OS/c21-29(28)16-6-3-5-15(9-16)24-20-25-19-12-22-11-18(27(19)26-20)14-8-13-4-1-2-7-17(13)23-10-14/h1-12H,21H2,(H,24,26)
InChIKeyWAZCDAMTVDIIGR-UHFFFAOYSA-N
XLogP3.06
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide with MolForge

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Related Compounds

quinoline-3-sulfinamide
CID 167254753
5-(1-methylpyrazol-4-yl)-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71735384
N,5-bis(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186265
6-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)quinoline-2,6-diamine
CID 59276286
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
methyl 1-methyl-5-quinolin-3-ylpyrazole-3-carboxylate
CID 66989245
5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276560
N-(1H-indazol-6-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276334
5-phenyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 70655520
N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276547
5-(4-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186476
2,4-dimethyl-6-quinolin-3-ylpyridazin-3-one
CID 145260221

Frequently Asked Questions

What is the IUPAC name of 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide?
The IUPAC name of 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide (CID 121258443) is 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide.
What is the SMILES notation for 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide?
The canonical SMILES for 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide is NS(=O)c1cccc(Nc2nc3cncc(-c4cnc5ccccc5c4)n3n2)c1.
What is the InChIKey of 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide?
The InChIKey is WAZCDAMTVDIIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7OS/c21-29(28)16-6-3-5-15(9-16)24-20-25-19-12-22-11-18(27(19)26-20)14-8-13-4-1-2-7-17(13)23-10-14/h1-12H,21H2,(H,24,26).
What are the key properties of 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide?
3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide has a molecular weight of 401.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-quinolin-3-yl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)amino]benzenesulfinamide is sourced from PubChem (CID 121258443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).