N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide

C12H20N4O2 — CID 63691498

IUPACN-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
SMILESCCOCCN(CC)C(=O)c1ccc(NC)nn1
InChIInChI=1S/C12H20N4O2/c1-4-16(8-9-18-5-2)12(17)10-6-7-11(13-3)15-14-10/h6-7H,4-5,8-9H2,1-3H3,(H,13,15)
InChIKeyMKMFOHDUXXVCHE-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.02
Rot. Bonds7

About N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide

N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide (PubChem CID 63691498) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
PubChem CID63691498
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
SMILESCCOCCN(CC)C(=O)c1ccc(NC)nn1
InChIInChI=1S/C12H20N4O2/c1-4-16(8-9-18-5-2)12(17)10-6-7-11(13-3)15-14-10/h6-7H,4-5,8-9H2,1-3H3,(H,13,15)
InChIKeyMKMFOHDUXXVCHE-UHFFFAOYSA-N
XLogP1.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 102996743
N,N-bis(2-ethoxyethyl)-6-(methylamino)pyridine-2-carboxamide
CID 82941671
N-ethyl-6-(methylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62168964
N-(2-methoxyethyl)-6-(methylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62180313
N-(2-ethoxyethyl)-N-ethyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498461
5-carbamothioyl-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 55231172
N,N-bis(cyanomethyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62186917
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 63691666
N-cyclopropyl-N-ethyl-6-(methylamino)pyridazine-3-carboxamide
CID 62168086
N-(2-hydroxyethyl)-N-methyl-6-(methylamino)pyridazine-3-carboxamide
CID 62180605
N,N-bis(2-methoxyethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62176695
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide (CID 63691498) is N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide is CCOCCN(CC)C(=O)c1ccc(NC)nn1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide?
The InChIKey is MKMFOHDUXXVCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-16(8-9-18-5-2)12(17)10-6-7-11(13-3)15-14-10/h6-7H,4-5,8-9H2,1-3H3,(H,13,15).
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide?
N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-6-(methylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 63691498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).