5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one

C14H15Br2N3OS — CID 114438582

IUPAC5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one
SMILESO=c1c(NCc2cc(Br)cs2)c(Br)cnn1CC1CCC1
InChIInChI=1S/C14H15Br2N3OS/c15-10-4-11(21-8-10)5-17-13-12(16)6-18-19(14(13)20)7-9-2-1-3-9/h4,6,8-9,17H,1-3,5,7H2
InChIKeyBZLPPPUUCTWDIH-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.24
Rot. Bonds5

About 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one

5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one (PubChem CID 114438582) has the molecular formula C14H15Br2N3OS and a molecular weight of 433.17 g/mol. Its IUPAC name is 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one
PubChem CID114438582
Molecular FormulaC14H15Br2N3OS
Molecular Weight433.17 g/mol
Exact Mass430.93
IUPAC Name5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one
SMILESO=c1c(NCc2cc(Br)cs2)c(Br)cnn1CC1CCC1
InChIInChI=1S/C14H15Br2N3OS/c15-10-4-11(21-8-10)5-17-13-12(16)6-18-19(14(13)20)7-9-2-1-3-9/h4,6,8-9,17H,1-3,5,7H2
InChIKeyBZLPPPUUCTWDIH-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-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-bromo-5-[(4-bromothiophen-2-yl)methylamino]-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438594
5-bromo-2-(cyclobutylmethyl)-4-(2-methylsulfinylethylamino)pyridazin-3-one
CID 114442342
5-bromo-2-(cyclobutylmethyl)-4-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446713
3-[[5-bromo-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]propane-1-sulfonamide
CID 114436519
5-bromo-2-(cyclobutylmethyl)-4-(cyclopent-3-en-1-ylamino)pyridazin-3-one
CID 114442191
5-bromo-2-(cyclobutylmethyl)-4-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442472
4-[(4-aminocyclohexyl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114446215
5-chloro-2-(cyclobutylmethyl)-4-(thiophen-2-ylmethylamino)pyridazin-3-one
CID 114432959
5-bromo-2-(cyclobutylmethyl)-4-[(3-methylcyclobutyl)amino]pyridazin-3-one
CID 114442063
5-bromo-2-(cyclobutylmethyl)-4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 106248231
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one?
The IUPAC name of 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one (CID 114438582) is 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one?
The canonical SMILES for 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one is O=c1c(NCc2cc(Br)cs2)c(Br)cnn1CC1CCC1.
What is the InChIKey of 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one?
The InChIKey is BZLPPPUUCTWDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3OS/c15-10-4-11(21-8-10)5-17-13-12(16)6-18-19(14(13)20)7-9-2-1-3-9/h4,6,8-9,17H,1-3,5,7H2.
What are the key properties of 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one?
5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one has a molecular weight of 433.17 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-bromothiophen-2-yl)methylamino]-2-(cyclobutylmethyl)pyridazin-3-one is sourced from PubChem (CID 114438582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).