[5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine

C15H25N3O2 — CID 80507868

IUPAC[5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(OCC2CCOCC2)c(CN)c1CC
InChIInChI=1S/C15H25N3O2/c1-3-12-13(9-16)15(18-17-14(12)4-2)20-10-11-5-7-19-8-6-11/h11H,3-10,16H2,1-2H3
InChIKeyVJDRVWGMAJFNOX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds6

About [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine (PubChem CID 80507868) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine
PubChem CID80507868
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(OCC2CCOCC2)c(CN)c1CC
InChIInChI=1S/C15H25N3O2/c1-3-12-13(9-16)15(18-17-14(12)4-2)20-10-11-5-7-19-8-6-11/h11H,3-10,16H2,1-2H3
InChIKeyVJDRVWGMAJFNOX-UHFFFAOYSA-N
XLogP1.87
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-methyl-2-(oxan-4-ylmethoxy)-3-pyridinyl]methanamine
CID 62384187
2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol
CID 80507766
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxolan-3-yl)pyridazin-3-amine
CID 82732973
5,6-diethyl-3-(oxan-4-yloxy)pyridazine-4-carbonitrile
CID 80510909
4-(aminomethyl)-N-(cyclopropylmethyl)-5,6-diethyl-N-methylpyridazin-3-amine
CID 80507578
[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine
CID 104559843
1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
CID 103079156
4-(aminomethyl)-N-cyclopropyl-5,6-diethylpyridazin-3-amine
CID 80508921
4-chloro-6-(oxan-4-ylmethoxy)-5-propylpyrimidine
CID 63734887
5,6-diethyl-3-(oxolan-2-ylmethoxy)pyridazine-4-carboximidamide
CID 80514008
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 80508145
4-(aminomethyl)-5,6-diethyl-N-methyl-N-(4-methylcyclohexyl)pyridazin-3-amine
CID 80508147

Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine (CID 80507868) is [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine is CCc1nnc(OCC2CCOCC2)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine?
The InChIKey is VJDRVWGMAJFNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-12-13(9-16)15(18-17-14(12)4-2)20-10-11-5-7-19-8-6-11/h11H,3-10,16H2,1-2H3.
What are the key properties of [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine has a molecular weight of 279.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(oxan-4-ylmethoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).