3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

C15H24N4O2 — CID 136924889

IUPAC3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCCC1CCCCC1Oc1nnc(C)c(C)c1/C(N)=N/O
InChIInChI=1S/C15H24N4O2/c1-4-11-7-5-6-8-12(11)21-15-13(14(16)19-20)9(2)10(3)17-18-15/h11-12,20H,4-8H2,1-3H3,(H2,16,19)
InChIKeyCZAKQTDYFGNZLK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.54
Rot. Bonds4

About 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide

3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 136924889) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID136924889
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide
SMILESCCC1CCCCC1Oc1nnc(C)c(C)c1/C(N)=N/O
InChIInChI=1S/C15H24N4O2/c1-4-11-7-5-6-8-12(11)21-15-13(14(16)19-20)9(2)10(3)17-18-15/h11-12,20H,4-8H2,1-3H3,(H2,16,19)
InChIKeyCZAKQTDYFGNZLK-UHFFFAOYSA-N
XLogP2.54
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.54
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide (CID 136924889) is 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is CCC1CCCCC1Oc1nnc(C)c(C)c1/C(N)=N/O.
What is the InChIKey of 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is CZAKQTDYFGNZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-11-7-5-6-8-12(11)21-15-13(14(16)19-20)9(2)10(3)17-18-15/h11-12,20H,4-8H2,1-3H3,(H2,16,19).
What are the key properties of 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide?
3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 292.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 136924889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).