5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide

C14H22N4O2 — CID 80514008

IUPAC5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCC2CCCO2)nnc(CC)c1CC
InChIInChI=1S/C14H22N4O2/c1-3-10-11(4-2)17-18-14(12(10)13(15)16)20-8-9-6-5-7-19-9/h9H,3-8H2,1-2H3,(H3,15,16)
InChIKeySHOKZQCUECPTBV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.44
Rot. Bonds6

About 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide

5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide (PubChem CID 80514008) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide
PubChem CID80514008
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(OCC2CCCO2)nnc(CC)c1CC
InChIInChI=1S/C14H22N4O2/c1-3-10-11(4-2)17-18-14(12(10)13(15)16)20-8-9-6-5-7-19-9/h9H,3-8H2,1-2H3,(H3,15,16)
InChIKeySHOKZQCUECPTBV-UHFFFAOYSA-N
XLogP1.44
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.44
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

3-(3,3-dimethylbutoxy)-5,6-diethylpyridazine-4-carboximidamide
CID 80514062
5,6-diethyl-3-(oxolan-2-ylmethylamino)pyridazine-4-carbothioamide
CID 80512337
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80860410
[5,6-diethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazin-4-yl]methanamine
CID 106495006
oxolan-2-ylmethyl ethanimidate
CID 123698253
5,6-dimethyl-3-(oxolan-2-ylmethylsulfanyl)pyridazine-4-carboximidamide
CID 106494553
3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine
CID 63271996
4-(oxan-2-ylmethoxy)pyridine-2-carboximidamide
CID 55157630
2-(oxan-2-ylmethoxy)pyrimidine-4-carboximidamide
CID 107550899
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 80508145
5,6-diethyl-3-(2-methylpropylsulfanyl)pyridazine-4-carboximidamide
CID 80515805

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide?
The IUPAC name of 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide (CID 80514008) is 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1c(OCC2CCCO2)nnc(CC)c1CC.
What is the InChIKey of 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide?
The InChIKey is SHOKZQCUECPTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-10-11(4-2)17-18-14(12(10)13(15)16)20-8-9-6-5-7-19-9/h9H,3-8H2,1-2H3,(H3,15,16).
What are the key properties of 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide?
5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 80514008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).