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

C14H23ClN4O — CID 114442315

IUPAC4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(NCCC2CCC2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-18(2)8-9-19-14(20)13(15)12(10-17-19)16-7-6-11-4-3-5-11/h10-11,16H,3-9H2,1-2H3
InChIKeySSNJAGVFZXZHEP-UHFFFAOYSA-N
MW298.82 g/mol
LogP2.06
Rot. Bonds7

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

4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 114442315) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID114442315
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(NCCC2CCC2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O/c1-18(2)8-9-19-14(20)13(15)12(10-17-19)16-7-6-11-4-3-5-11/h10-11,16H,3-9H2,1-2H3
InChIKeySSNJAGVFZXZHEP-UHFFFAOYSA-N
XLogP2.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434041
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
4-chloro-2-[2-(dimethylamino)ethyl]-5-(oxan-3-ylmethylamino)pyridazin-3-one
CID 114434456
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-bromo-5-(2-cyclopropylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439471
4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114436664
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-methylpyrrolidin-2-yl)methylamino]pyridazin-3-one
CID 106026691
5-(but-3-ynylamino)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114438445
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 106136666
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 114442315) is 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CN(C)CCn1ncc(NCCC2CCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is SSNJAGVFZXZHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O/c1-18(2)8-9-19-14(20)13(15)12(10-17-19)16-7-6-11-4-3-5-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 298.82 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114442315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).