2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol

C11H19N3O2 — CID 80507766

IUPAC2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol
SMILESCCc1nnc(OCCO)c(CN)c1CC
InChIInChI=1S/C11H19N3O2/c1-3-8-9(7-12)11(16-6-5-15)14-13-10(8)4-2/h15H,3-7,12H2,1-2H3
InChIKeyIIKRJLMNPXELPE-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.43
Rot. Bonds6

About 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol

2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol (PubChem CID 80507766) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol
PubChem CID80507766
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol
SMILESCCc1nnc(OCCO)c(CN)c1CC
InChIInChI=1S/C11H19N3O2/c1-3-8-9(7-12)11(16-6-5-15)14-13-10(8)4-2/h15H,3-7,12H2,1-2H3
InChIKeyIIKRJLMNPXELPE-UHFFFAOYSA-N
XLogP0.43
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol?
The IUPAC name of 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol (CID 80507766) is 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol?
The canonical SMILES for 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol is CCc1nnc(OCCO)c(CN)c1CC.
What is the InChIKey of 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol?
The InChIKey is IIKRJLMNPXELPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-8-9(7-12)11(16-6-5-15)14-13-10(8)4-2/h15H,3-7,12H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol?
2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol has a molecular weight of 225.29 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]oxyethanol is sourced from PubChem (CID 80507766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).