N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C13H12N4O2S — CID 30730517

IUPACN-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2sccc2C#N)ccc1=O
InChIInChI=1S/C13H12N4O2S/c1-2-6-17-11(18)4-3-10(16-17)12(19)15-13-9(8-14)5-7-20-13/h3-5,7H,2,6H2,1H3,(H,15,19)
InChIKeyXLPZJCPUBZFPFN-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.84
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 30730517) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID30730517
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2sccc2C#N)ccc1=O
InChIInChI=1S/C13H12N4O2S/c1-2-6-17-11(18)4-3-10(16-17)12(19)15-13-9(8-14)5-7-20-13/h3-5,7H,2,6H2,1H3,(H,15,19)
InChIKeyXLPZJCPUBZFPFN-UHFFFAOYSA-N
XLogP1.84
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 30730517) is N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2sccc2C#N)ccc1=O.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is XLPZJCPUBZFPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-2-6-17-11(18)4-3-10(16-17)12(19)15-13-9(8-14)5-7-20-13/h3-5,7H,2,6H2,1H3,(H,15,19).
What are the key properties of N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 30730517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).