2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide

C21H21N5OS — CID 7532569

IUPAC2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C21H21N5OS/c1-3-14(4-2)21(27)22-16-9-7-15(8-10-16)17-11-12-19-23-24-20(26(19)25-17)18-6-5-13-28-18/h5-14H,3-4H2,1-2H3,(H,22,27)
InChIKeyDRDMYSFLWMSCAV-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.89
Rot. Bonds6

About 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide

2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide (PubChem CID 7532569) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
PubChem CID7532569
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1
InChIInChI=1S/C21H21N5OS/c1-3-14(4-2)21(27)22-16-9-7-15(8-10-16)17-11-12-19-23-24-20(26(19)25-17)18-6-5-13-28-18/h5-14H,3-4H2,1-2H3,(H,22,27)
InChIKeyDRDMYSFLWMSCAV-UHFFFAOYSA-N
XLogP4.89
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-propyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
CID 7532565
2-ethoxy-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532568
2-thiophen-2-yl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 16872955
2-propyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pentanamide
CID 8608320
2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036965
3-cyclohexyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 16873005
4-phenyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 16872951
3-methoxy-1-methyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide
CID 121037001
2-phenyl-N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 16872894
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
CID 121036983
N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]oxolane-2-carboxamide
CID 43971703
2-nitro-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873014

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide (CID 7532569) is 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1.
What is the InChIKey of 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide?
The InChIKey is DRDMYSFLWMSCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-3-14(4-2)21(27)22-16-9-7-15(8-10-16)17-11-12-19-23-24-20(26(19)25-17)18-6-5-13-28-18/h5-14H,3-4H2,1-2H3,(H,22,27).
What are the key properties of 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide?
2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide has a molecular weight of 391.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide is sourced from PubChem (CID 7532569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).