3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide

C15H26N4O — CID 80514062

IUPAC3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCC(C)(C)C)nnc(CC)c1CC
InChIInChI=1S/C15H26N4O/c1-6-10-11(7-2)18-19-14(12(10)13(16)17)20-9-8-15(3,4)5/h6-9H2,1-5H3,(H3,16,17)
InChIKeyQYGTYWRSNPTYOV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.70
Rot. Bonds6

About 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide

3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide (PubChem CID 80514062) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide
PubChem CID80514062
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCC(C)(C)C)nnc(CC)c1CC
InChIInChI=1S/C15H26N4O/c1-6-10-11(7-2)18-19-14(12(10)13(16)17)20-9-8-15(3,4)5/h6-9H2,1-5H3,(H3,16,17)
InChIKeyQYGTYWRSNPTYOV-UHFFFAOYSA-N
XLogP2.70
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide (CID 80514062) is 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OCCC(C)(C)C)nnc(CC)c1CC.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide?
The InChIKey is QYGTYWRSNPTYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-6-10-11(7-2)18-19-14(12(10)13(16)17)20-9-8-15(3,4)5/h6-9H2,1-5H3,(H3,16,17).
What are the key properties of 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide?
3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide has a molecular weight of 278.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide is sourced from PubChem (CID 80514062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).