2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

C13H22N4O2 — CID 72901531

IUPAC2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H22N4O2/c1-6-13(2,3)15-11(18)9-17-12(19)7-10(8-14-17)16(4)5/h7-8H,6,9H2,1-5H3,(H,15,18)
InChIKeyNWPTWZDITMFCNY-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.61
Rot. Bonds5

About 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 72901531) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID72901531
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H22N4O2/c1-6-13(2,3)15-11(18)9-17-12(19)7-10(8-14-17)16(4)5/h7-8H,6,9H2,1-5H3,(H,15,18)
InChIKeyNWPTWZDITMFCNY-UHFFFAOYSA-N
XLogP0.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 72901531) is 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is NWPTWZDITMFCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-6-13(2,3)15-11(18)9-17-12(19)7-10(8-14-17)16(4)5/h7-8H,6,9H2,1-5H3,(H,15,18).
What are the key properties of 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 72901531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).