4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one

C13H21ClN4O — CID 114436613

IUPAC4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one
SMILESCN(C)CCn1ncc(NC2CC2(C)C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-13(2)7-10(13)16-9-8-15-18(6-5-17(3)4)12(19)11(9)14/h8,10,16H,5-7H2,1-4H3
InChIKeyPJIHJQHTDHINGC-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.67
Rot. Bonds5

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

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one (PubChem CID 114436613) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one
PubChem CID114436613
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one
SMILESCN(C)CCn1ncc(NC2CC2(C)C)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O/c1-13(2)7-10(13)16-9-8-15-18(6-5-17(3)4)12(19)11(9)14/h8,10,16H,5-7H2,1-4H3
InChIKeyPJIHJQHTDHINGC-UHFFFAOYSA-N
XLogP1.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2-hydroxycyclohexyl)amino]pyridazin-3-one
CID 114437014
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114440175
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
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-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114442315
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115693522
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439437
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one
CID 114442752
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one (CID 114436613) is 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one is CN(C)CCn1ncc(NC2CC2(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one?
The InChIKey is PJIHJQHTDHINGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-13(2)7-10(13)16-9-8-15-18(6-5-17(3)4)12(19)11(9)14/h8,10,16H,5-7H2,1-4H3.
What are the key properties of 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one?
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one has a molecular weight of 284.79 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(dimethylamino)ethyl]-5-[(2,2-dimethylcyclopropyl)amino]pyridazin-3-one is sourced from PubChem (CID 114436613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).