2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C14H26N4O2 — CID 114393725

IUPAC2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C14H26N4O2/c1-14(2,11-15)5-6-18-13(19)9-12(10-16-18)17(3)7-8-20-4/h9-10H,5-8,11,15H2,1-4H3
InChIKeyHMARPZZYZXHJLC-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.70
Rot. Bonds8

About 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 114393725) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID114393725
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESCOCCN(C)c1cnn(CCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C14H26N4O2/c1-14(2,11-15)5-6-18-13(19)9-12(10-16-18)17(3)7-8-20-4/h9-10H,5-8,11,15H2,1-4H3
InChIKeyHMARPZZYZXHJLC-UHFFFAOYSA-N
XLogP0.70
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 114393725) is 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is COCCN(C)c1cnn(CCC(C)(C)CN)c(=O)c1.
What is the InChIKey of 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is HMARPZZYZXHJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(2,11-15)5-6-18-13(19)9-12(10-16-18)17(3)7-8-20-4/h9-10H,5-8,11,15H2,1-4H3.
What are the key properties of 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 282.39 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylbutyl)-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114393725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).