5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one

C12H20BrN5O — CID 114443949

IUPAC5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(NC2CC(N)C2)c(Br)c1=O
InChIInChI=1S/C12H20BrN5O/c1-17(2)3-4-18-12(19)11(13)10(7-15-18)16-9-5-8(14)6-9/h7-9,16H,3-6,14H2,1-2H3
InChIKeyNMNRMFUEEBFUJS-UHFFFAOYSA-N
MW330.23 g/mol
LogP0.47
Rot. Bonds5

About 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one

5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 114443949) has the molecular formula C12H20BrN5O and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID114443949
Molecular FormulaC12H20BrN5O
Molecular Weight330.23 g/mol
Exact Mass329.09
IUPAC Name5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(NC2CC(N)C2)c(Br)c1=O
InChIInChI=1S/C12H20BrN5O/c1-17(2)3-4-18-12(19)11(13)10(7-15-18)16-9-5-8(14)6-9/h7-9,16H,3-6,14H2,1-2H3
InChIKeyNMNRMFUEEBFUJS-UHFFFAOYSA-N
XLogP0.47
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114444160
4-bromo-5-(cyclohex-3-en-1-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439532
4-bromo-5-(2-cyclopropylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439471
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-2-[2-(dimethylamino)ethyl]-5-(pentan-3-ylamino)pyridazin-3-one
CID 114431621
5-(4-aminoanilino)-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114444754
5-[3-(aminomethyl)pentan-3-ylamino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114445301
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
CID 114434932
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433019
methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
CID 114432337
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446884
4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436086

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 114443949) is 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CN(C)CCn1ncc(NC2CC(N)C2)c(Br)c1=O.
What is the InChIKey of 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is NMNRMFUEEBFUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN5O/c1-17(2)3-4-18-12(19)11(13)10(7-15-18)16-9-5-8(14)6-9/h7-9,16H,3-6,14H2,1-2H3.
What are the key properties of 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 330.23 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114443949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).