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

C14H20BrN3O2 — CID 114442451

IUPAC5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
SMILESCC1(Nc2c(Br)cnn(CC3CCC3)c2=O)CCOC1
InChIInChI=1S/C14H20BrN3O2/c1-14(5-6-20-9-14)17-12-11(15)7-16-18(13(12)19)8-10-3-2-4-10/h7,10,17H,2-6,8-9H2,1H3
InChIKeyQZUVSLSLIJFFBY-UHFFFAOYSA-N
MW342.24 g/mol
LogP2.40
Rot. Bonds4

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

5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one (PubChem CID 114442451) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
PubChem CID114442451
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
SMILESCC1(Nc2c(Br)cnn(CC3CCC3)c2=O)CCOC1
InChIInChI=1S/C14H20BrN3O2/c1-14(5-6-20-9-14)17-12-11(15)7-16-18(13(12)19)8-10-3-2-4-10/h7,10,17H,2-6,8-9H2,1H3
InChIKeyQZUVSLSLIJFFBY-UHFFFAOYSA-N
XLogP2.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(cyclobutylmethyl)-4-[(3-methylcyclobutyl)amino]pyridazin-3-one
CID 114442063
5-bromo-2-(cyclobutylmethyl)-4-(cyclopent-3-en-1-ylamino)pyridazin-3-one
CID 114442191
4-[(4-aminocyclohexyl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114446215
5-bromo-2-(cyclobutylmethyl)-4-(2-methylsulfinylethylamino)pyridazin-3-one
CID 114442342
5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435317
5-bromo-2-(cyclobutylmethyl)-4-(3-ethylpentan-2-ylamino)pyridazin-3-one
CID 114438171
5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114439122
4-[(1-amino-4-methylpentan-2-yl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114445272
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114445723
5-bromo-2-(cyclobutylmethyl)-4-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446713
5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one
CID 114438582
5-bromo-2-(cyclobutylmethyl)-4-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442472

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one?
The IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one (CID 114442451) is 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one is CC1(Nc2c(Br)cnn(CC3CCC3)c2=O)CCOC1.
What is the InChIKey of 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one?
The InChIKey is QZUVSLSLIJFFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-14(5-6-20-9-14)17-12-11(15)7-16-18(13(12)19)8-10-3-2-4-10/h7,10,17H,2-6,8-9H2,1H3.
What are the key properties of 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one?
5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one has a molecular weight of 342.24 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114442451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).