N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C15H14N6OS — CID 121027765

IUPACN-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C15H14N6OS/c22-15(16-10-4-3-5-11-14(10)20-23-19-11)12-6-7-13(18-17-12)21-8-1-2-9-21/h3-7H,1-2,8-9H2,(H,16,22)
InChIKeyRTEFVXPPGXEKGZ-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.33
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 121027765) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID121027765
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1cccc2nsnc12)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C15H14N6OS/c22-15(16-10-4-3-5-11-14(10)20-23-19-11)12-6-7-13(18-17-12)21-8-1-2-9-21/h3-7H,1-2,8-9H2,(H,16,22)
InChIKeyRTEFVXPPGXEKGZ-UHFFFAOYSA-N
XLogP2.33
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-(2,1,3-benzothiadiazol-4-yl)-6-methoxypyridazine-3-carboxamide
CID 90509394
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
N-(2-tert-butylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111813
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52992999
6-(4-acetylpiperazin-1-yl)-N-(2,3-dichlorophenyl)pyridazine-3-carboxamide
CID 109117200
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(2,1,3-benzothiadiazol-4-yl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071371
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116912
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126021

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 121027765) is N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1cccc2nsnc12)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is RTEFVXPPGXEKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c22-15(16-10-4-3-5-11-14(10)20-23-19-11)12-6-7-13(18-17-12)21-8-1-2-9-21/h3-7H,1-2,8-9H2,(H,16,22).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121027765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).