4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one

C14H19ClN4OS — CID 114436764

IUPAC4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
SMILESCc1ccc(CNc2cnn(CCN(C)C)c(=O)c2Cl)s1
InChIInChI=1S/C14H19ClN4OS/c1-10-4-5-11(21-10)8-16-12-9-17-19(7-6-18(2)3)14(20)13(12)15/h4-5,9,16H,6-8H2,1-3H3
InChIKeyUZTXKURWJHEZCM-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.44
Rot. Bonds6

About 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one (PubChem CID 114436764) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
PubChem CID114436764
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
SMILESCc1ccc(CNc2cnn(CCN(C)C)c(=O)c2Cl)s1
InChIInChI=1S/C14H19ClN4OS/c1-10-4-5-11(21-10)8-16-12-9-17-19(7-6-18(2)3)14(20)13(12)15/h4-5,9,16H,6-8H2,1-3H3
InChIKeyUZTXKURWJHEZCM-UHFFFAOYSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-methyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 47281719
4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114436664
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287
5-(but-3-ynylamino)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114438445
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one
CID 114442752
N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433518
4-chloro-2-[2-(dimethylamino)ethyl]-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444114
3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114436512
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114438333

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one (CID 114436764) is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one is Cc1ccc(CNc2cnn(CCN(C)C)c(=O)c2Cl)s1.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one?
The InChIKey is UZTXKURWJHEZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-10-4-5-11(21-10)8-16-12-9-17-19(7-6-18(2)3)14(20)13(12)15/h4-5,9,16H,6-8H2,1-3H3.
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one?
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one has a molecular weight of 326.85 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114436764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).