3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide

C12H19N3O2 — CID 104624588

IUPAC3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NOCC(C)C
InChIInChI=1S/C12H19N3O2/c1-5-11-10(6-9(4)13-14-11)12(16)15-17-7-8(2)3/h6,8H,5,7H2,1-4H3,(H,15,16)
InChIKeyGWSCAZXMLIFTKN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.66
Rot. Bonds5

About 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide

3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide (PubChem CID 104624588) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
PubChem CID104624588
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NOCC(C)C
InChIInChI=1S/C12H19N3O2/c1-5-11-10(6-9(4)13-14-11)12(16)15-17-7-8(2)3/h6,8H,5,7H2,1-4H3,(H,15,16)
InChIKeyGWSCAZXMLIFTKN-UHFFFAOYSA-N
XLogP1.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670530
3-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridazine-4-carboxamide
CID 104624859
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670448
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 104625743
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide
CID 113439347
N-(4-bromopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106131553
1-(3-ethyl-6-methylpyridazin-4-yl)-3,5-dimethylhexan-1-one
CID 114201681

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide?
The IUPAC name of 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide (CID 104624588) is 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NOCC(C)C.
What is the InChIKey of 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide?
The InChIKey is GWSCAZXMLIFTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-11-10(6-9(4)13-14-11)12(16)15-17-7-8(2)3/h6,8H,5,7H2,1-4H3,(H,15,16).
What are the key properties of 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide?
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide is sourced from PubChem (CID 104624588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).