2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one

C14H24N4O2 — CID 114393702

IUPAC2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCC(C)(CN)CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H24N4O2/c1-14(2,11-15)3-4-18-13(19)9-12(10-16-18)17-5-7-20-8-6-17/h9-10H,3-8,11,15H2,1-2H3
InChIKeyHYMPCDBQIGGKHR-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.45
Rot. Bonds5

About 2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one

2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114393702) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID114393702
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCC(C)(CN)CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C14H24N4O2/c1-14(2,11-15)3-4-18-13(19)9-12(10-16-18)17-5-7-20-8-6-17/h9-10H,3-8,11,15H2,1-2H3
InChIKeyHYMPCDBQIGGKHR-UHFFFAOYSA-N
XLogP0.45
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.45
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-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one (CID 114393702) is 2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one is CC(C)(CN)CCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is HYMPCDBQIGGKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,11-15)3-4-18-13(19)9-12(10-16-18)17-5-7-20-8-6-17/h9-10H,3-8,11,15H2,1-2H3.
What are the key properties of 2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one?
2-(4-amino-3,3-dimethylbutyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 280.37 g/mol, XLogP of 0.45, 5 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-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114393702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).