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

C14H25N5O2 — CID 103223627

IUPAC2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ncc(NCCNC)cc1=O
InChIInChI=1S/C14H25N5O2/c1-5-14(2,3)18-12(20)10-19-13(21)8-11(9-17-19)16-7-6-15-4/h8-9,15-16H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyHMKGSBVNRXTWNK-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.18
Rot. Bonds8

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

2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 103223627) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID103223627
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1ncc(NCCNC)cc1=O
InChIInChI=1S/C14H25N5O2/c1-5-14(2,3)18-12(20)10-19-13(21)8-11(9-17-19)16-7-6-15-4/h8-9,15-16H,5-7,10H2,1-4H3,(H,18,20)
InChIKeyHMKGSBVNRXTWNK-UHFFFAOYSA-N
XLogP0.18
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616
N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223655
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
CID 103221610
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
CID 103220247
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide
CID 103218532
N-cyclopropyl-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
CID 103218488
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 103223627) is 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1ncc(NCCNC)cc1=O.
What is the InChIKey of 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is HMKGSBVNRXTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-5-14(2,3)18-12(20)10-19-13(21)8-11(9-17-19)16-7-6-15-4/h8-9,15-16H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 103223627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).