3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide

C11H18N4O — CID 104671356

IUPAC3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCCNC
InChIInChI=1S/C11H18N4O/c1-4-10-9(7-8(2)14-15-10)11(16)13-6-5-12-3/h7,12H,4-6H2,1-3H3,(H,13,16)
InChIKeyQSGXTZMFWBTUMH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.30
Rot. Bonds5

About 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide

3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide (PubChem CID 104671356) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
PubChem CID104671356
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCCNC
InChIInChI=1S/C11H18N4O/c1-4-10-9(7-8(2)14-15-10)11(16)13-6-5-12-3/h7,12H,4-6H2,1-3H3,(H,13,16)
InChIKeyQSGXTZMFWBTUMH-UHFFFAOYSA-N
XLogP0.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N-(6-chlorohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847354
N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847967
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
N-(4-bromopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106131553
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
CID 104625709
N-[(E)-4-chlorobut-2-enyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670858

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide (CID 104671356) is 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCCNC.
What is the InChIKey of 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide?
The InChIKey is QSGXTZMFWBTUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-10-9(7-8(2)14-15-10)11(16)13-6-5-12-3/h7,12H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide?
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104671356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).