N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide

C11H18N4O2 — CID 103218570

IUPACN-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ncc(NC)cc1=O
InChIInChI=1S/C11H18N4O2/c1-3-4-5-13-10(16)8-15-11(17)6-9(12-2)7-14-15/h6-7,12H,3-5,8H2,1-2H3,(H,13,16)
InChIKeyUNHGVCYVAVDJKK-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.20
Rot. Bonds6

About N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide

N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 103218570) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID103218570
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCCCCNC(=O)Cn1ncc(NC)cc1=O
InChIInChI=1S/C11H18N4O2/c1-3-4-5-13-10(16)8-15-11(17)6-9(12-2)7-14-15/h6-7,12H,3-5,8H2,1-2H3,(H,13,16)
InChIKeyUNHGVCYVAVDJKK-UHFFFAOYSA-N
XLogP0.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.20
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-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
N-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]acetamide
CID 72902728
(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide
CID 97210160
2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103218675
2-[4-(ethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219116
2-[6-oxo-4-(propan-2-ylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219530
2-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219931

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide (CID 103218570) is N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide is CCCCNC(=O)Cn1ncc(NC)cc1=O.
What is the InChIKey of N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is UNHGVCYVAVDJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-4-5-13-10(16)8-15-11(17)6-9(12-2)7-14-15/h6-7,12H,3-5,8H2,1-2H3,(H,13,16).
What are the key properties of N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide?
N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103218570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).