6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide

C13H16N4OS — CID 62161925

IUPAC6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide
SMILESCCCC(NC(=O)c1ccc(N)nn1)c1cccs1
InChIInChI=1S/C13H16N4OS/c1-2-4-9(11-5-3-8-19-11)15-13(18)10-6-7-12(14)17-16-10/h3,5-9H,2,4H2,1H3,(H2,14,17)(H,15,18)
InChIKeyMVABABBLWLTTMZ-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.39
Rot. Bonds5

About 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide

6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide (PubChem CID 62161925) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide
PubChem CID62161925
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide
SMILESCCCC(NC(=O)c1ccc(N)nn1)c1cccs1
InChIInChI=1S/C13H16N4OS/c1-2-4-9(11-5-3-8-19-11)15-13(18)10-6-7-12(14)17-16-10/h3,5-9H,2,4H2,1H3,(H2,14,17)(H,15,18)
InChIKeyMVABABBLWLTTMZ-UHFFFAOYSA-N
XLogP2.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
4-amino-1-ethyl-N-(1-thiophen-2-ylbutyl)pyrazole-5-carboxamide
CID 65358853
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
5-bromo-N-(1-thiophen-2-ylbutyl)furan-2-carboxamide
CID 61380869
3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 79758784
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2-(5-amino-2-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 107338504
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide (CID 62161925) is 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide is CCCC(NC(=O)c1ccc(N)nn1)c1cccs1.
What is the InChIKey of 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide?
The InChIKey is MVABABBLWLTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-4-9(11-5-3-8-19-11)15-13(18)10-6-7-12(14)17-16-10/h3,5-9H,2,4H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide?
6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-thiophen-2-ylbutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62161925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).