3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one

C11H19N3O2 — CID 136537663

IUPAC3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
SMILESCCC(COC)NC(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H19N3O2/c1-4-9(7-16-3)12-8(2)10-5-6-11(15)14-13-10/h5-6,8-9,12H,4,7H2,1-3H3,(H,14,15)
InChIKeyFQSZEZRXRBFFAC-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.85
Rot. Bonds6

About 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one

3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one (PubChem CID 136537663) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
PubChem CID136537663
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one
SMILESCCC(COC)NC(C)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H19N3O2/c1-4-9(7-16-3)12-8(2)10-5-6-11(15)14-13-10/h5-6,8-9,12H,4,7H2,1-3H3,(H,14,15)
InChIKeyFQSZEZRXRBFFAC-UHFFFAOYSA-N
XLogP0.85
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443195
N-(3-butoxypropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 29171657
N-butyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 30386755
1-(2-methoxyethyl)-6-oxo-N-pentan-3-ylpyridazine-3-carboxamide
CID 30790180
1-(2-methoxyethyl)-N-[(2S)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 32616714
1-(2-methoxyethyl)-N-[(2R)-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 32616717
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34832168
N-[(2R)-1-methoxypropan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 34832174
N-(2-methoxyethyl)-6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxamide
CID 42162059
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 43006081
n-Isopropyl-1-(2-methoxyethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 43043656
N-(1-hydroxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 43417991

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one (CID 136537663) is 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one is CCC(COC)NC(C)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one?
The InChIKey is FQSZEZRXRBFFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9(7-16-3)12-8(2)10-5-6-11(15)14-13-10/h5-6,8-9,12H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one?
3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one has a molecular weight of 225.29 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methoxybutan-2-ylamino)ethyl]-1H-pyridazin-6-one is sourced from PubChem (CID 136537663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).