2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C15H28N4O — CID 114394815

IUPAC2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCNC(Cn1ncc(N(C)CC)cc1=O)C(C)CC
InChIInChI=1S/C15H28N4O/c1-6-12(4)14(16-7-2)11-19-15(20)9-13(10-17-19)18(5)8-3/h9-10,12,14,16H,6-8,11H2,1-5H3
InChIKeyWTFXHGAWRVLEEP-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.72
Rot. Bonds8

About 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114394815) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114394815
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCNC(Cn1ncc(N(C)CC)cc1=O)C(C)CC
InChIInChI=1S/C15H28N4O/c1-6-12(4)14(16-7-2)11-19-15(20)9-13(10-17-19)18(5)8-3/h9-10,12,14,16H,6-8,11H2,1-5H3
InChIKeyWTFXHGAWRVLEEP-UHFFFAOYSA-N
XLogP1.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697
2-(3-amino-2-ethoxypropyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393747
2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395128
5-methyl-2-[3-methyl-2-(methylamino)pentyl]pyridazin-3-one
CID 106548526
2-amino-3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanamide
CID 114394012
5-[ethyl(methyl)amino]-2-[2-(methylamino)-2-phenylethyl]pyridazin-3-one
CID 114394819
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
CID 114396794
5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
CID 107506433
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114394815) is 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCNC(Cn1ncc(N(C)CC)cc1=O)C(C)CC.
What is the InChIKey of 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is WTFXHGAWRVLEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-12(4)14(16-7-2)11-19-15(20)9-13(10-17-19)18(5)8-3/h9-10,12,14,16H,6-8,11H2,1-5H3.
What are the key properties of 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 280.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114394815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).