4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one

C15H20BrN3O2 — CID 114436028

IUPAC4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one
SMILESCC(CCc1ccco1)Nc1cnn(C(C)C)c(=O)c1Br
InChIInChI=1S/C15H20BrN3O2/c1-10(2)19-15(20)14(16)13(9-17-19)18-11(3)6-7-12-5-4-8-21-12/h4-5,8-11,18H,6-7H2,1-3H3
InChIKeyUPHDNWZGQFZHBV-UHFFFAOYSA-N
MW354.25 g/mol
LogP3.61
Rot. Bonds6

About 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one

4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one (PubChem CID 114436028) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one
PubChem CID114436028
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one
SMILESCC(CCc1ccco1)Nc1cnn(C(C)C)c(=O)c1Br
InChIInChI=1S/C15H20BrN3O2/c1-10(2)19-15(20)14(16)13(9-17-19)18-11(3)6-7-12-5-4-8-21-12/h4-5,8-11,18H,6-7H2,1-3H3
InChIKeyUPHDNWZGQFZHBV-UHFFFAOYSA-N
XLogP3.61
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777
4-chloro-5-[4-(furan-2-yl)butan-2-ylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436029
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
CID 78913335
4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692
2-bromo-3-fluoro-4-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 107540073
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105183823
4-bromo-5-[1-(2-methylphenyl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114435847
4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107609511
4-bromo-5-(2,2-dimethylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114434796
4-bromo-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 114435008
5-(1-aminohexan-2-ylamino)-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114446573

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one (CID 114436028) is 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one is CC(CCc1ccco1)Nc1cnn(C(C)C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one?
The InChIKey is UPHDNWZGQFZHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-10(2)19-15(20)14(16)13(9-17-19)18-11(3)6-7-12-5-4-8-21-12/h4-5,8-11,18H,6-7H2,1-3H3.
What are the key properties of 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one?
4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one has a molecular weight of 354.25 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[4-(furan-2-yl)butan-2-ylamino]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114436028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).