4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one

C10H16BrN3O3 — CID 106192467

IUPAC4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one
SMILESCCn1ncc(NC(CO)COC)c(Br)c1=O
InChIInChI=1S/C10H16BrN3O3/c1-3-14-10(16)9(11)8(4-12-14)13-7(5-15)6-17-2/h4,7,13,15H,3,5-6H2,1-2H3
InChIKeyXZGRDWXXRCFICM-UHFFFAOYSA-N
MW306.16 g/mol
LogP0.44
Rot. Bonds6

About 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one

4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one (PubChem CID 106192467) has the molecular formula C10H16BrN3O3 and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one
PubChem CID106192467
Molecular FormulaC10H16BrN3O3
Molecular Weight306.16 g/mol
Exact Mass305.04
IUPAC Name4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one
SMILESCCn1ncc(NC(CO)COC)c(Br)c1=O
InChIInChI=1S/C10H16BrN3O3/c1-3-14-10(16)9(11)8(4-12-14)13-7(5-15)6-17-2/h4,7,13,15H,3,5-6H2,1-2H3
InChIKeyXZGRDWXXRCFICM-UHFFFAOYSA-N
XLogP0.44
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one (CID 106192467) is 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one is CCn1ncc(NC(CO)COC)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one?
The InChIKey is XZGRDWXXRCFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O3/c1-3-14-10(16)9(11)8(4-12-14)13-7(5-15)6-17-2/h4,7,13,15H,3,5-6H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one?
4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one has a molecular weight of 306.16 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyridazin-3-one is sourced from PubChem (CID 106192467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).