2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide

C10H16N4O2 — CID 103218286

IUPAC2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C10H16N4O2/c1-2-3-4-12-9(15)7-14-10(16)5-8(11)6-13-14/h5-6H,2-4,7,11H2,1H3,(H,12,15)
InChIKeyHTDILRLFYHZMTN-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.26
Rot. Bonds5

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

2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide (PubChem CID 103218286) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide
PubChem CID103218286
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1ncc(N)cc1=O
InChIInChI=1S/C10H16N4O2/c1-2-3-4-12-9(15)7-14-10(16)5-8(11)6-13-14/h5-6H,2-4,7,11H2,1H3,(H,12,15)
InChIKeyHTDILRLFYHZMTN-UHFFFAOYSA-N
XLogP-0.26
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-cyclooctyl-2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]acetamide
CID 72902728
(2S)-N-cyclohexyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]butanamide
CID 97210160
2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide (CID 103218286) is 2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide is CCCCNC(=O)Cn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide?
The InChIKey is HTDILRLFYHZMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-4-12-9(15)7-14-10(16)5-8(11)6-13-14/h5-6H,2-4,7,11H2,1H3,(H,12,15).
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide?
2-(4-amino-6-oxopyridazin-1-yl)-N-butylacetamide has a molecular weight of 224.26 g/mol, XLogP of -0.26, 5 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-butylacetamide is sourced from PubChem (CID 103218286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).