4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide

C11H18N4O3 — CID 103222699

IUPAC4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H18N4O3/c1-13-10(16)3-2-5-15-11(17)7-9(8-14-15)18-6-4-12/h7-8H,2-6,12H2,1H3,(H,13,16)
InChIKeyHZHROSGBPXJWIR-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.89
Rot. Bonds7

About 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide

4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide (PubChem CID 103222699) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide
PubChem CID103222699
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCn1ncc(OCCN)cc1=O
InChIInChI=1S/C11H18N4O3/c1-13-10(16)3-2-5-15-11(17)7-9(8-14-15)18-6-4-12/h7-8H,2-6,12H2,1H3,(H,13,16)
InChIKeyHZHROSGBPXJWIR-UHFFFAOYSA-N
XLogP-0.89
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Aminoethoxy)-2-nonylpyridazin-3-one
CID 103222643
5-(2-Aminoethoxy)-2-heptylpyridazin-3-one
CID 103222644
5-(2-Aminoethoxy)-2-hexylpyridazin-3-one
CID 103222645
5-(2-Aminoethoxy)-2-(2-methylpropyl)pyridazin-3-one
CID 103222646
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103222647
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]acetonitrile
CID 103222651
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
CID 103222655
5-(2-Aminoethoxy)-2-[2-(2-methoxyethoxy)ethyl]pyridazin-3-one
CID 103222669
5-(2-Aminoethoxy)-2-(4-methoxybutyl)pyridazin-3-one
CID 103222678
5-(2-Aminoethoxy)-2-pent-3-ynylpyridazin-3-one
CID 103222679
5-(2-Aminoethoxy)-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103222680
5-(2-Aminoethoxy)-2-(3-methoxypropyl)pyridazin-3-one
CID 103222681

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide (CID 103222699) is 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide is CNC(=O)CCCn1ncc(OCCN)cc1=O.
What is the InChIKey of 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide?
The InChIKey is HZHROSGBPXJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-13-10(16)3-2-5-15-11(17)7-9(8-14-15)18-6-4-12/h7-8H,2-6,12H2,1H3,(H,13,16).
What are the key properties of 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide?
4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide has a molecular weight of 254.29 g/mol, XLogP of -0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-methylbutanamide is sourced from PubChem (CID 103222699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).