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

C14H22BrN3O2 — CID 114438942

IUPAC5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
SMILESCOCCC(C)Nc1c(Br)cnn(CC2CCC2)c1=O
InChIInChI=1S/C14H22BrN3O2/c1-10(6-7-20-2)17-13-12(15)8-16-18(14(13)19)9-11-4-3-5-11/h8,10-11,17H,3-7,9H2,1-2H3
InChIKeyJPDPPNTWSNGCMM-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.64
Rot. Bonds7

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

5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one (PubChem CID 114438942) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
PubChem CID114438942
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
SMILESCOCCC(C)Nc1c(Br)cnn(CC2CCC2)c1=O
InChIInChI=1S/C14H22BrN3O2/c1-10(6-7-20-2)17-13-12(15)8-16-18(14(13)19)9-11-4-3-5-11/h8,10-11,17H,3-7,9H2,1-2H3
InChIKeyJPDPPNTWSNGCMM-UHFFFAOYSA-N
XLogP2.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436910
5-bromo-2-(cyclobutylmethyl)-4-(heptan-2-ylamino)pyridazin-3-one
CID 114435361
5-chloro-2-(cyclopropylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438940
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
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114445723
4-[(1-amino-4-methylpentan-2-yl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114445272
5-chloro-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436917
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-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
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-(4-methoxybutan-2-ylamino)pyridazin-3-one?
The IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one (CID 114438942) is 5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one is COCCC(C)Nc1c(Br)cnn(CC2CCC2)c1=O.
What is the InChIKey of 5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one?
The InChIKey is JPDPPNTWSNGCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-10(6-7-20-2)17-13-12(15)8-16-18(14(13)19)9-11-4-3-5-11/h8,10-11,17H,3-7,9H2,1-2H3.
What are the key properties of 5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one?
5-bromo-2-(cyclobutylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one has a molecular weight of 344.25 g/mol, XLogP of 2.64, 7 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-(4-methoxybutan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114438942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).