4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one

C11H18BrN3O2 — CID 103703952

IUPAC4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one
SMILESCC(C)C(CCO)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-7(2)8(4-5-16)14-9-6-13-15(3)11(17)10(9)12/h6-8,14,16H,4-5H2,1-3H3
InChIKeyGOQTTWXJPRYWQG-UHFFFAOYSA-N
MW304.19 g/mol
LogP1.36
Rot. Bonds5

About 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one

4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one (PubChem CID 103703952) has the molecular formula C11H18BrN3O2 and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one
PubChem CID103703952
Molecular FormulaC11H18BrN3O2
Molecular Weight304.19 g/mol
Exact Mass303.06
IUPAC Name4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one
SMILESCC(C)C(CCO)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C11H18BrN3O2/c1-7(2)8(4-5-16)14-9-6-13-15(3)11(17)10(9)12/h6-8,14,16H,4-5H2,1-3H3
InChIKeyGOQTTWXJPRYWQG-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one (CID 103703952) is 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one is CC(C)C(CCO)Nc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one?
The InChIKey is GOQTTWXJPRYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2/c1-7(2)8(4-5-16)14-9-6-13-15(3)11(17)10(9)12/h6-8,14,16H,4-5H2,1-3H3.
What are the key properties of 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one?
4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one has a molecular weight of 304.19 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(1-hydroxy-4-methylpentan-3-yl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 103703952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).