4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one

C12H21ClN4O2 — CID 114442752

IUPAC4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one
SMILESCCC(O)CNc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C12H21ClN4O2/c1-4-9(18)7-14-10-8-15-17(6-5-16(2)3)12(19)11(10)13/h8-9,14,18H,4-7H2,1-3H3
InChIKeyOAJVMHNGIOIXAJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP0.64
Rot. Bonds7

About 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one

4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one (PubChem CID 114442752) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one
PubChem CID114442752
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one
SMILESCCC(O)CNc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C12H21ClN4O2/c1-4-9(18)7-14-10-8-15-17(6-5-16(2)3)12(19)11(10)13/h8-9,14,18H,4-7H2,1-3H3
InChIKeyOAJVMHNGIOIXAJ-UHFFFAOYSA-N
XLogP0.64
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114438333
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
CID 114436636
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114436664
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439437
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
4-chloro-2-[2-(dimethylamino)ethyl]-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444114
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114436512
4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide
CID 114433901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one (CID 114442752) is 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one is CCC(O)CNc1cnn(CCN(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one?
The InChIKey is OAJVMHNGIOIXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-4-9(18)7-14-10-8-15-17(6-5-16(2)3)12(19)11(10)13/h8-9,14,18H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one?
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one has a molecular weight of 288.78 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one is sourced from PubChem (CID 114442752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).