4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one

C13H20BrN3O2 — CID 114433366

IUPAC4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
SMILESCC(Nc1cnn(C(C)C)c(=O)c1Br)C1CCCO1
InChIInChI=1S/C13H20BrN3O2/c1-8(2)17-13(18)12(14)10(7-15-17)16-9(3)11-5-4-6-19-11/h7-9,11,16H,4-6H2,1-3H3
InChIKeyRCBHUTSUHAVGFJ-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.57
Rot. Bonds4

About 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one

4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one (PubChem CID 114433366) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
PubChem CID114433366
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
SMILESCC(Nc1cnn(C(C)C)c(=O)c1Br)C1CCCO1
InChIInChI=1S/C13H20BrN3O2/c1-8(2)17-13(18)12(14)10(7-15-17)16-9(3)11-5-4-6-19-11/h7-9,11,16H,4-6H2,1-3H3
InChIKeyRCBHUTSUHAVGFJ-UHFFFAOYSA-N
XLogP2.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433352
4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433364
4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114433350
4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 115579991
5-[(2-amino-1-cyclohexylethyl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114446840
4-bromo-5-(oxan-4-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114433742
4-bromo-5-[[4-(methylamino)cyclohexyl]amino]-2-propan-2-ylpyridazin-3-one
CID 114446257
4-bromo-5-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-ylpyridazin-3-one
CID 106362341
5-chloro-2-(cyclobutylmethyl)-4-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433355
4-bromo-5-[(2-hydroxycyclopentyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114439642
4-bromo-5-[(2-hydroxycyclohexyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114439093
4-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-4,5-diamine
CID 82236284

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one (CID 114433366) is 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one is CC(Nc1cnn(C(C)C)c(=O)c1Br)C1CCCO1.
What is the InChIKey of 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one?
The InChIKey is RCBHUTSUHAVGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-8(2)17-13(18)12(14)10(7-15-17)16-9(3)11-5-4-6-19-11/h7-9,11,16H,4-6H2,1-3H3.
What are the key properties of 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one?
4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one has a molecular weight of 330.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114433366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).