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

C15H26N4O2 — CID 114393699

IUPAC2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCC(C)(CN)CCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C15H26N4O2/c1-15(2,12-16)4-3-5-19-14(20)10-13(11-17-19)18-6-8-21-9-7-18/h10-11H,3-9,12,16H2,1-2H3
InChIKeyYNERAPRVLPJBRK-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.85
Rot. Bonds6

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

2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114393699) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one
PubChem CID114393699
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one
SMILESCC(C)(CN)CCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C15H26N4O2/c1-15(2,12-16)4-3-5-19-14(20)10-13(11-17-19)18-6-8-21-9-7-18/h10-11H,3-9,12,16H2,1-2H3
InChIKeyYNERAPRVLPJBRK-UHFFFAOYSA-N
XLogP0.85
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one (CID 114393699) is 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one is CC(C)(CN)CCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is YNERAPRVLPJBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,12-16)4-3-5-19-14(20)10-13(11-17-19)18-6-8-21-9-7-18/h10-11H,3-9,12,16H2,1-2H3.
What are the key properties of 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one?
2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 294.40 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4,4-dimethylpentyl)-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114393699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).