3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide

C13H22N4O — CID 61092166

IUPAC3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCCCCC)nnc(C)c1C
InChIInChI=1S/C13H22N4O/c1-4-5-6-7-8-18-13-11(12(14)15)9(2)10(3)16-17-13/h4-8H2,1-3H3,(H3,14,15)
InChIKeyQQQFFVDMBSMLPW-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.34
Rot. Bonds7

About 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide

3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 61092166) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID61092166
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCCCCC)nnc(C)c1C
InChIInChI=1S/C13H22N4O/c1-4-5-6-7-8-18-13-11(12(14)15)9(2)10(3)16-17-13/h4-8H2,1-3H3,(H3,14,15)
InChIKeyQQQFFVDMBSMLPW-UHFFFAOYSA-N
XLogP2.34
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
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-(3-methoxy-3-methylbutoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 106665853
(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine
CID 61097427
2-hexoxypyridine-3-carboximidamide
CID 29002899
5,6-dimethyl-3-(2,4,5-trichlorophenoxy)pyridazine-4-carboximidamide
CID 61092542
3-[(3-methoxyphenyl)methoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 61090301
3-cyclohexyloxy-5,6-dimethylpyridazine-4-carboximidamide
CID 61091609
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-(2-chlorophenoxy)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090482
3-butoxypyrazine-2-carboximidamide
CID 62685425

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide (CID 61092166) is 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OCCCCCC)nnc(C)c1C.
What is the InChIKey of 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is QQQFFVDMBSMLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-6-7-8-18-13-11(12(14)15)9(2)10(3)16-17-13/h4-8H2,1-3H3,(H3,14,15).
What are the key properties of 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide?
3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 250.35 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-5,6-dimethylpyridazine-4-carboximidamide is sourced from PubChem (CID 61092166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).