2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide

C12H20N4O2 — CID 103218738

IUPAC2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCNc1cnn(CC(=O)NCCC(C)C)c(=O)c1
InChIInChI=1S/C12H20N4O2/c1-9(2)4-5-14-11(17)8-16-12(18)6-10(13-3)7-15-16/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyIYEQZBSYHNVCGI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.45
Rot. Bonds6

About 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide

2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide (PubChem CID 103218738) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
PubChem CID103218738
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide
SMILESCNc1cnn(CC(=O)NCCC(C)C)c(=O)c1
InChIInChI=1S/C12H20N4O2/c1-9(2)4-5-14-11(17)8-16-12(18)6-10(13-3)7-15-16/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyIYEQZBSYHNVCGI-UHFFFAOYSA-N
XLogP0.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
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-[(1R)-2-methyl-1-(trifluoromethyl)propyl]-2-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]acetamide
CID 28811050
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-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide (CID 103218738) is 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide is CNc1cnn(CC(=O)NCCC(C)C)c(=O)c1.
What is the InChIKey of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is IYEQZBSYHNVCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)4-5-14-11(17)8-16-12(18)6-10(13-3)7-15-16/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,17).
What are the key properties of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide?
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 103218738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).