N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide

C12H19ClN4O2 — CID 114433549

IUPACN-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
SMILESCCCCn1ncc(NCCNC(C)=O)c(Cl)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-3-4-7-17-12(19)11(13)10(8-16-17)15-6-5-14-9(2)18/h8,15H,3-7H2,1-2H3,(H,14,18)
InChIKeyCFUBENBWKZEEQI-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.24
Rot. Bonds7

About N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide

N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide (PubChem CID 114433549) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
PubChem CID114433549
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC NameN-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
SMILESCCCCn1ncc(NCCNC(C)=O)c(Cl)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-3-4-7-17-12(19)11(13)10(8-16-17)15-6-5-14-9(2)18/h8,15H,3-7H2,1-2H3,(H,14,18)
InChIKeyCFUBENBWKZEEQI-UHFFFAOYSA-N
XLogP1.24
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
3-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114441609
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
5-[2-(benzylamino)ethylamino]-2-butyl-4-chloropyridazin-3-one
CID 15581001
2-butyl-4-chloro-5-[(2-methyl-2-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114442319
2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one
CID 106287447
2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440306

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide (CID 114433549) is N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide is CCCCn1ncc(NCCNC(C)=O)c(Cl)c1=O.
What is the InChIKey of N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide?
The InChIKey is CFUBENBWKZEEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-3-4-7-17-12(19)11(13)10(8-16-17)15-6-5-14-9(2)18/h8,15H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide?
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide has a molecular weight of 286.76 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 114433549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).