3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile

C11H9ClN4S — CID 106034912

IUPAC3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCc1ccc(Cl)s1
InChIInChI=1S/C11H9ClN4S/c12-10-2-1-9(17-10)4-5-14-11-8(7-13)3-6-15-16-11/h1-3,6H,4-5H2,(H,14,16)
InChIKeyZGDCSVRJBPYLDB-UHFFFAOYSA-N
MW264.74 g/mol
LogP2.72
Rot. Bonds4

About 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile

3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile (PubChem CID 106034912) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile
PubChem CID106034912
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCCc1ccc(Cl)s1
InChIInChI=1S/C11H9ClN4S/c12-10-2-1-9(17-10)4-5-14-11-8(7-13)3-6-15-16-11/h1-3,6H,4-5H2,(H,14,16)
InChIKeyZGDCSVRJBPYLDB-UHFFFAOYSA-N
XLogP2.72
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
3-[2-(4-aminophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80514883
2-[2-(5-chlorothiophen-2-yl)ethylamino]pyrimidine-4-carbonitrile
CID 106034899
4-[2-(5-chlorothiophen-2-yl)ethylamino]-2,3-difluorobenzonitrile
CID 106034926
4-[2-[(4-cyanopyridazin-3-yl)amino]ethyl]benzoic acid
CID 80507896
6-[2-(5-chlorothiophen-2-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 106048793
4-bromo-2-[2-(5-chlorothiophen-2-yl)ethylamino]benzonitrile
CID 106034976
N-[2-(5-chlorothiophen-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 103710800
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391
5-[2-(5-chlorothiophen-2-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 106034929

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile (CID 106034912) is 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile is N#Cc1ccnnc1NCCc1ccc(Cl)s1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is ZGDCSVRJBPYLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c12-10-2-1-9(17-10)4-5-14-11-8(7-13)3-6-15-16-11/h1-3,6H,4-5H2,(H,14,16).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile?
3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 264.74 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 106034912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).