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

C11H18N4O2 — CID 103218284

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C11H18N4O2/c1-4-11(2,3)14-9(16)7-15-10(17)5-8(12)6-13-15/h5-6H,4,7,12H2,1-3H3,(H,14,16)
InChIKeyFIQYQIHVOWBWLI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.13
Rot. Bonds4

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

2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 103218284) 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-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide
PubChem CID103218284
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C11H18N4O2/c1-4-11(2,3)14-9(16)7-15-10(17)5-8(12)6-13-15/h5-6H,4,7,12H2,1-3H3,(H,14,16)
InChIKeyFIQYQIHVOWBWLI-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221646
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223469
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223681
N-tert-butyl-2-{4-[1-(2,2-difluoroethyl)-6-oxo-1,6-dihydropyridazin-4-yl]piperazin-1-yl}acetamide
CID 172903993
N-(2-methyl-3-oxopyridazin-4-yl)propanamide
CID 14626617
N-[5-(dimethylamino)-2-methyl-3-oxopyridazin-4-yl]acetamide
CID 57541435

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide (CID 103218284) is 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is FIQYQIHVOWBWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-11(2,3)14-9(16)7-15-10(17)5-8(12)6-13-15/h5-6H,4,7,12H2,1-3H3,(H,14,16).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.13, 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103218284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).