2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide

C11H18N4O2 — CID 103218362

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C11H18N4O2/c1-7(2)8(3)14-10(16)6-15-11(17)4-9(12)5-13-15/h4-5,7-8H,6,12H2,1-3H3,(H,14,16)
InChIKeyYCNRNPFYDANYIQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.01
Rot. Bonds4

About 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide

2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 103218362) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID103218362
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C11H18N4O2/c1-7(2)8(3)14-10(16)6-15-11(17)4-9(12)5-13-15/h4-5,7-8H,6,12H2,1-3H3,(H,14,16)
InChIKeyYCNRNPFYDANYIQ-UHFFFAOYSA-N
XLogP-0.01
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.01
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~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-[4-(cyclopropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103219931
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-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide (CID 103218362) is 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is YCNRNPFYDANYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)8(3)14-10(16)6-15-11(17)4-9(12)5-13-15/h4-5,7-8H,6,12H2,1-3H3,(H,14,16).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxopyridazin-1-yl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103218362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).