4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one

C13H23ClN4O2 — CID 114436636

IUPAC4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
SMILESCOCC(C)CNc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C13H23ClN4O2/c1-10(9-20-4)7-15-11-8-16-18(6-5-17(2)3)13(19)12(11)14/h8,10,15H,5-7,9H2,1-4H3
InChIKeyMAIQPUYNCYKVQB-UHFFFAOYSA-N
MW302.81 g/mol
LogP1.15
Rot. Bonds8

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

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one (PubChem CID 114436636) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
PubChem CID114436636
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one
SMILESCOCC(C)CNc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C13H23ClN4O2/c1-10(9-20-4)7-15-11-8-16-18(6-5-17(2)3)13(19)12(11)14/h8,10,15H,5-7,9H2,1-4H3
InChIKeyMAIQPUYNCYKVQB-UHFFFAOYSA-N
XLogP1.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114438333
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one
CID 114442752
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-2-(2-methoxyethyl)-5-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazin-3-one
CID 115681445
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
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441286
4-chloro-5-[4-(dimethylamino)butan-2-ylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115657305
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446863

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one (CID 114436636) is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one is COCC(C)CNc1cnn(CCN(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one?
The InChIKey is MAIQPUYNCYKVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O2/c1-10(9-20-4)7-15-11-8-16-18(6-5-17(2)3)13(19)12(11)14/h8,10,15H,5-7,9H2,1-4H3.
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one?
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one has a molecular weight of 302.81 g/mol, XLogP of 1.15, 8 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-[(3-methoxy-2-methylpropyl)amino]pyridazin-3-one is sourced from PubChem (CID 114436636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).