[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine

C13H23N3O — CID 80507981

IUPAC[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine
SMILESCCc1nnc(OC(C)(C)C)c(CN)c1CC
InChIInChI=1S/C13H23N3O/c1-6-9-10(8-14)12(17-13(3,4)5)16-15-11(9)7-2/h6-8,14H2,1-5H3
InChIKeyJSNMULRVCQXPRR-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.24
Rot. Bonds4

About [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine

[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine (PubChem CID 80507981) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine
PubChem CID80507981
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine
SMILESCCc1nnc(OC(C)(C)C)c(CN)c1CC
InChIInChI=1S/C13H23N3O/c1-6-9-10(8-14)12(17-13(3,4)5)16-15-11(9)7-2/h6-8,14H2,1-5H3
InChIKeyJSNMULRVCQXPRR-UHFFFAOYSA-N
XLogP2.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine (CID 80507981) is [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine is CCc1nnc(OC(C)(C)C)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine?
The InChIKey is JSNMULRVCQXPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-9-10(8-14)12(17-13(3,4)5)16-15-11(9)7-2/h6-8,14H2,1-5H3.
What are the key properties of [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine?
[5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-[(2-methylpropan-2-yl)oxy]pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).