3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide

C13H20N4O — CID 80514220

IUPAC3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OC1CCC(C)C(C)C1
InChIInChI=1S/C13H20N4O/c1-8-3-4-10(7-9(8)2)18-13-11(12(14)15)5-6-16-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H3,14,15)
InChIKeyCQHHSUPTUUEFQI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds3

About 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide

3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide (PubChem CID 80514220) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide
PubChem CID80514220
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1OC1CCC(C)C(C)C1
InChIInChI=1S/C13H20N4O/c1-8-3-4-10(7-9(8)2)18-13-11(12(14)15)5-6-16-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H3,14,15)
InChIKeyCQHHSUPTUUEFQI-UHFFFAOYSA-N
XLogP1.96
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
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-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide (CID 80514220) is 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1OC1CCC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide?
The InChIKey is CQHHSUPTUUEFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-3-4-10(7-9(8)2)18-13-11(12(14)15)5-6-16-17-13/h5-6,8-10H,3-4,7H2,1-2H3,(H3,14,15).
What are the key properties of 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide?
3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide is sourced from PubChem (CID 80514220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).