5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one

C15H24BrN3O — CID 114435317

IUPAC5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
SMILESCCC(C)C(C)Nc1c(Br)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H24BrN3O/c1-4-10(2)11(3)18-14-13(16)8-17-19(15(14)20)9-12-6-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3
InChIKeyDTESUVFJGMFTDQ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.65
Rot. Bonds6

About 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one

5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one (PubChem CID 114435317) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
PubChem CID114435317
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
SMILESCCC(C)C(C)Nc1c(Br)cnn(CC2CCC2)c1=O
InChIInChI=1S/C15H24BrN3O/c1-4-10(2)11(3)18-14-13(16)8-17-19(15(14)20)9-12-6-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3
InChIKeyDTESUVFJGMFTDQ-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(cyclobutylmethyl)-4-(3-ethylpentan-2-ylamino)pyridazin-3-one
CID 114438171
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435325
5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436910
5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438942
5-bromo-2-(cyclobutylmethyl)-4-(heptan-2-ylamino)pyridazin-3-one
CID 114435361
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
4-(1-aminohexan-2-ylamino)-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114446567
5-bromo-2-(cyclobutylmethyl)-4-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446713
5-bromo-2-(cyclobutylmethyl)-4-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442472
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one (CID 114435317) is 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one is CCC(C)C(C)Nc1c(Br)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one?
The InChIKey is DTESUVFJGMFTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-10(2)11(3)18-14-13(16)8-17-19(15(14)20)9-12-6-5-7-12/h8,10-12,18H,4-7,9H2,1-3H3.
What are the key properties of 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one?
5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one has a molecular weight of 342.28 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114435317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).