3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide

C13H22N4O2 — CID 106665853

IUPAC3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCC(C)(C)OC)nnc(C)c1C
InChIInChI=1S/C13H22N4O2/c1-8-9(2)16-17-12(10(8)11(14)15)19-7-6-13(3,4)18-5/h6-7H2,1-5H3,(H3,14,15)
InChIKeyQIGBTYHVTNGNAW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.57
Rot. Bonds6

About 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide

3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 106665853) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID106665853
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCC(C)(C)OC)nnc(C)c1C
InChIInChI=1S/C13H22N4O2/c1-8-9(2)16-17-12(10(8)11(14)15)19-7-6-13(3,4)18-5/h6-7H2,1-5H3,(H3,14,15)
InChIKeyQIGBTYHVTNGNAW-UHFFFAOYSA-N
XLogP1.57
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridazine-4-carboximidamide
CID 112587803
3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 104562347
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61092166
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033946
3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide
CID 80514062
3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61090301
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
3-methoxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033943
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090678
3-cyclohexyloxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61091609
4-methoxy-2-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 106665854

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide (CID 106665853) is 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OCCC(C)(C)OC)nnc(C)c1C.
What is the InChIKey of 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is QIGBTYHVTNGNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-9(2)16-17-12(10(8)11(14)15)19-7-6-13(3,4)18-5/h6-7H2,1-5H3,(H3,14,15).
What are the key properties of 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide?
3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 266.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 106665853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).