4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one

C12H22ClN5O — CID 114445523

IUPAC4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one
SMILESCNCCN(C)c1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C12H22ClN5O/c1-14-5-6-17(4)10-9-15-18(8-7-16(2)3)12(19)11(10)13/h9,14H,5-8H2,1-4H3
InChIKeyKGJMIDORQRPDHW-UHFFFAOYSA-N
MW287.80 g/mol
LogP0.11
Rot. Bonds7

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

4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one (PubChem CID 114445523) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one
PubChem CID114445523
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one
SMILESCNCCN(C)c1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C12H22ClN5O/c1-14-5-6-17(4)10-9-15-18(8-7-16(2)3)12(19)11(10)13/h9,14H,5-8H2,1-4H3
InChIKeyKGJMIDORQRPDHW-UHFFFAOYSA-N
XLogP0.11
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
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-2-[2-(dimethylamino)ethyl]-5-(1-methylsulfonylpropan-2-ylamino)pyridazin-3-one
CID 114438987
N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433518
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-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
5-[azetidin-3-yl(propyl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446030
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444942
5-(but-3-ynylamino)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114438445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one (CID 114445523) is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one is CNCCN(C)c1cnn(CCN(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one?
The InChIKey is KGJMIDORQRPDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5O/c1-14-5-6-17(4)10-9-15-18(8-7-16(2)3)12(19)11(10)13/h9,14H,5-8H2,1-4H3.
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one?
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one has a molecular weight of 287.80 g/mol, XLogP of 0.11, 7 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-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one is sourced from PubChem (CID 114445523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).