2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide

C12H20N4O2 — CID 103218532

IUPAC2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ncc(NC)cc1=O
InChIInChI=1S/C12H20N4O2/c1-4-9(5-2)15-11(17)8-16-12(18)6-10(13-3)7-14-16/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,17)
InChIKeySGYSNSIIJNSSSD-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.59
Rot. Bonds6

About 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide

2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 103218532) 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-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide
PubChem CID103218532
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1ncc(NC)cc1=O
InChIInChI=1S/C12H20N4O2/c1-4-9(5-2)15-11(17)8-16-12(18)6-10(13-3)7-14-16/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,17)
InChIKeySGYSNSIIJNSSSD-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
N-cyclopropyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218488
N,N-dimethyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218559
2-ethyl-5-(methylamino)pyridazin-3-one
CID 103218572
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
5-(methylamino)-2-(3-methylbutyl)pyridazin-3-one
CID 103218528
2-(2-ethylsulfanylethyl)-5-(methylamino)pyridazin-3-one
CID 103218516
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 103221884
N-methyl-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 131176187
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide (CID 103218532) is 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1ncc(NC)cc1=O.
What is the InChIKey of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is SGYSNSIIJNSSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-9(5-2)15-11(17)8-16-12(18)6-10(13-3)7-14-16/h6-7,9,13H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide?
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.59, 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-pentan-3-ylacetamide is sourced from PubChem (CID 103218532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).