5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one

C9H15N3O — CID 71756237

IUPAC5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CN)c1CC
InChIInChI=1S/C9H15N3O/c1-3-6-7(5-10)9(13)12-11-8(6)4-2/h3-5,10H2,1-2H3,(H,12,13)
InChIKeyGXYDRMDRTXLIHI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.35
Rot. Bonds3

About 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one

5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one (PubChem CID 71756237) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one
PubChem CID71756237
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(CN)c1CC
InChIInChI=1S/C9H15N3O/c1-3-6-7(5-10)9(13)12-11-8(6)4-2/h3-5,10H2,1-2H3,(H,12,13)
InChIKeyGXYDRMDRTXLIHI-UHFFFAOYSA-N
XLogP0.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one?
The IUPAC name of 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one (CID 71756237) is 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(CN)c1CC.
What is the InChIKey of 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one?
The InChIKey is GXYDRMDRTXLIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-6-7(5-10)9(13)12-11-8(6)4-2/h3-5,10H2,1-2H3,(H,12,13).
What are the key properties of 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one?
5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3,4-diethyl-1H-pyridazin-6-one is sourced from PubChem (CID 71756237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).