2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one

C11H19N3O2 — CID 106548372

IUPAC2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one
SMILESCCOC(CN)CCn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-3-16-10(7-12)4-5-14-11(15)6-9(2)8-13-14/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyKQQPGHKEYJWZFX-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.31
Rot. Bonds6

About 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one

2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one (PubChem CID 106548372) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one
PubChem CID106548372
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one
SMILESCCOC(CN)CCn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-3-16-10(7-12)4-5-14-11(15)6-9(2)8-13-14/h6,8,10H,3-5,7,12H2,1-2H3
InChIKeyKQQPGHKEYJWZFX-UHFFFAOYSA-N
XLogP0.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Amino-3-ethoxybutyl)pyridazin-3-one
CID 63070112
5-(2-Aminoethoxy)-2-hexylpyridazin-3-one
CID 103222645
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
5-(2-Aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
CID 103222678
5-(2-Aminoethoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222681
5-(2-Aminoethoxy)-2-propylpyridazin-3-one
CID 103222684
5-(2-Aminoethoxy)-2-(2-methylbutyl)pyridazin-3-one
CID 103222694
5-(2-Aminoethoxy)-2-(3-methylbutyl)pyridazin-3-one
CID 103222719
5-(2-Aminoethoxy)-2-butylpyridazin-3-one
CID 103222744
5-(2-Aminoethoxy)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
CID 103222763
5-(2-Aminoethoxy)-2-(2-ethylbutyl)pyridazin-3-one
CID 103222776
5-(2-Aminoethoxy)-2-pentylpyridazin-3-one
CID 103222797

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one (CID 106548372) is 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one is CCOC(CN)CCn1ncc(C)cc1=O.
What is the InChIKey of 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one?
The InChIKey is KQQPGHKEYJWZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-16-10(7-12)4-5-14-11(15)6-9(2)8-13-14/h6,8,10H,3-5,7,12H2,1-2H3.
What are the key properties of 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one?
2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one has a molecular weight of 225.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxybutyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).