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

C11H19N5O2 — CID 103223616

IUPACN-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1ncc(NCCNC)cc1=O
InChIInChI=1S/C11H19N5O2/c1-3-13-10(17)8-16-11(18)6-9(7-15-16)14-5-4-12-2/h6-7,12,14H,3-5,8H2,1-2H3,(H,13,17)
InChIKeyHKXNHAMEQDQEIF-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.99
Rot. Bonds7

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

N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide (PubChem CID 103223616) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
PubChem CID103223616
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1ncc(NCCNC)cc1=O
InChIInChI=1S/C11H19N5O2/c1-3-13-10(17)8-16-11(18)6-9(7-15-16)14-5-4-12-2/h6-7,12,14H,3-5,8H2,1-2H3,(H,13,17)
InChIKeyHKXNHAMEQDQEIF-UHFFFAOYSA-N
XLogP-0.99
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.99
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-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
N-(cyanomethyl)-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223655
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
N-(2-methoxyethyl)-2-[6-oxo-4-(propylamino)pyridazin-1-yl]acetamide
CID 103220247
2-butyl-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223613
5-[2-(methylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 103223530
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide
CID 103218532
2-[(3,4-difluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223667
2-[(2-fluorophenyl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223567
2-[[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]methyl]benzonitrile
CID 103223592
5-[2-(methylamino)ethylamino]-2-[(2-methyltetrazol-5-yl)methyl]pyridazin-3-one
CID 107067032

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide (CID 103223616) is N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide is CCNC(=O)Cn1ncc(NCCNC)cc1=O.
What is the InChIKey of N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide?
The InChIKey is HKXNHAMEQDQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-13-10(17)8-16-11(18)6-9(7-15-16)14-5-4-12-2/h6-7,12,14H,3-5,8H2,1-2H3,(H,13,17).
What are the key properties of N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide?
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 253.31 g/mol, XLogP of -0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103223616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).