4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one

C10H14BrN3O2 — CID 114442459

IUPAC4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
SMILESCn1ncc(NC2(C)CCOC2)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-10(3-4-16-6-10)13-7-5-12-14(2)9(15)8(7)11/h5,13H,3-4,6H2,1-2H3
InChIKeyCKTDJMZHVSZSLK-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.13
Rot. Bonds2

About 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one

4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one (PubChem CID 114442459) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
PubChem CID114442459
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
SMILESCn1ncc(NC2(C)CCOC2)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O2/c1-10(3-4-16-6-10)13-7-5-12-14(2)9(15)8(7)11/h5,13H,3-4,6H2,1-2H3
InChIKeyCKTDJMZHVSZSLK-UHFFFAOYSA-N
XLogP1.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one (CID 114442459) is 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one is Cn1ncc(NC2(C)CCOC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one?
The InChIKey is CKTDJMZHVSZSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-10(3-4-16-6-10)13-7-5-12-14(2)9(15)8(7)11/h5,13H,3-4,6H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one?
4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one has a molecular weight of 288.14 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114442459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).