6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile

C14H16N4S — CID 133418782

IUPAC6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile
SMILESCC(C)CC(Nc1ccc(C#N)nn1)c1cccs1
InChIInChI=1S/C14H16N4S/c1-10(2)8-12(13-4-3-7-19-13)16-14-6-5-11(9-15)17-18-14/h3-7,10,12H,8H2,1-2H3,(H,16,18)
InChIKeyWIHJIPRFBMRNNH-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.61
Rot. Bonds5

About 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile

6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile (PubChem CID 133418782) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile
PubChem CID133418782
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile
SMILESCC(C)CC(Nc1ccc(C#N)nn1)c1cccs1
InChIInChI=1S/C14H16N4S/c1-10(2)8-12(13-4-3-7-19-13)16-14-6-5-11(9-15)17-18-14/h3-7,10,12H,8H2,1-2H3,(H,16,18)
InChIKeyWIHJIPRFBMRNNH-UHFFFAOYSA-N
XLogP3.61
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile (CID 133418782) is 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile is CC(C)CC(Nc1ccc(C#N)nn1)c1cccs1.
What is the InChIKey of 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile?
The InChIKey is WIHJIPRFBMRNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-10(2)8-12(13-4-3-7-19-13)16-14-6-5-11(9-15)17-18-14/h3-7,10,12H,8H2,1-2H3,(H,16,18).
What are the key properties of 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile?
6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile has a molecular weight of 272.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-1-thiophen-2-ylbutyl)amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).