2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide

C10H16N4O2 — CID 116788196

IUPAC2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C10H16N4O2/c1-10(2,3)12-8(15)6-14-9(16)5-4-7(11)13-14/h4-5H,6H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyJGFXXGLSVFYAKI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.26
Rot. Bonds2

About 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide

2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide (PubChem CID 116788196) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide
PubChem CID116788196
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)Cn1nc(N)ccc1=O
InChIInChI=1S/C10H16N4O2/c1-10(2,3)12-8(15)6-14-9(16)5-4-7(11)13-14/h4-5H,6H2,1-3H3,(H2,11,13)(H,12,15)
InChIKeyJGFXXGLSVFYAKI-UHFFFAOYSA-N
XLogP-0.26
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116788169
6-Amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 116788154
N-tert-butyl-2-(6-oxopyridazin-1-yl)acetamide
CID 139772208
N-ethyl-2-(6-oxo-3-trimethylstannylpyridazin-1-yl)acetamide
CID 168762775
2-(3-Amino-6-oxopyridazin-1-yl)ethyl-dimethylazanium
CID 168824389
6-Amino-2-[2-(methylamino)ethyl]pyridazin-3-one
CID 169960725
N-(6-amino-2-methyl-3-oxopyridazin-4-yl)prop-2-enamide
CID 170969724
2-(3-amino-6-oxopyridazin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 113564083
2-(3-amino-6-oxopyridazin-1-yl)-N-(3-methylbutyl)acetamide
CID 113564084
2-(3-amino-6-oxopyridazin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 113564099
N-(2-aminoethyl)-N'-(6-oxo-1H-pyridazin-3-yl)oxamide
CID 116786136
2-(ethylamino)-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)propanamide
CID 116786898

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide (CID 116788196) is 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide is CC(C)(C)NC(=O)Cn1nc(N)ccc1=O.
What is the InChIKey of 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide?
The InChIKey is JGFXXGLSVFYAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-10(2,3)12-8(15)6-14-9(16)5-4-7(11)13-14/h4-5H,6H2,1-3H3,(H2,11,13)(H,12,15).
What are the key properties of 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide?
2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide has a molecular weight of 224.26 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-oxopyridazin-1-yl)-N-tert-butylacetamide is sourced from PubChem (CID 116788196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).