2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one

C9H15N3O — CID 106548537

IUPAC2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCNCCn1ncc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-3-10-4-5-12-9(13)6-8(2)7-11-12/h6-7,10H,3-5H2,1-2H3
InChIKeyJQUBKPAJTUFNON-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.16
Rot. Bonds4

About 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one

2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one (PubChem CID 106548537) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one
PubChem CID106548537
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one
SMILESCCNCCn1ncc(C)cc1=O
InChIInChI=1S/C9H15N3O/c1-3-10-4-5-12-9(13)6-8(2)7-11-12/h6-7,10H,3-5H2,1-2H3
InChIKeyJQUBKPAJTUFNON-UHFFFAOYSA-N
XLogP0.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-Aminoethyl)-2,3-dihydropyridazin-3-one
CID 10534729
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
2-(2-Aminoethyl)-5-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 164645064
N-(2-methylpropyl)-6-oxo-1H-pyridazine-4-carboxamide
CID 20785128
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-Ethyl-5-methyl-2,3-dihydropyridazin-3-one
CID 124252037
5-Methyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 125451803
5-Methyl-2-prop-2-enylpyridazin-3-one
CID 130677854
N-ethyl-2-(6-oxopyridazin-1-yl)acetamide
CID 131201227
2-[2-(Propylamino)ethyl]pyridazin-3-one
CID 62848550
2-[2-(Butylamino)ethyl]pyridazin-3-one
CID 62848573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one (CID 106548537) is 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one is CCNCCn1ncc(C)cc1=O.
What is the InChIKey of 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one?
The InChIKey is JQUBKPAJTUFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-10-4-5-12-9(13)6-8(2)7-11-12/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one?
2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one has a molecular weight of 181.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).