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

C12H22BrN5O — CID 114447043

IUPAC5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(N(C)CCCN)c(Br)c1=O
InChIInChI=1S/C12H22BrN5O/c1-16(2)7-8-18-12(19)11(13)10(9-15-18)17(3)6-4-5-14/h9H,4-8,14H2,1-3H3
InChIKeyDKICDZHKVZVPSW-UHFFFAOYSA-N
MW332.25 g/mol
LogP0.35
Rot. Bonds7

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

5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 114447043) has the molecular formula C12H22BrN5O and a molecular weight of 332.25 g/mol. Its IUPAC name is 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID114447043
Molecular FormulaC12H22BrN5O
Molecular Weight332.25 g/mol
Exact Mass331.10
IUPAC Name5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(N(C)CCCN)c(Br)c1=O
InChIInChI=1S/C12H22BrN5O/c1-16(2)7-8-18-12(19)11(13)10(9-15-18)17(3)6-4-5-14/h9H,4-8,14H2,1-3H3
InChIKeyDKICDZHKVZVPSW-UHFFFAOYSA-N
XLogP0.35
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444666
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]-N,N-dimethylacetamide
CID 114433019
4-bromo-2-[2-(dimethylamino)ethyl]-5-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446884
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
CID 114432337
5-(4-aminoanilino)-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114444754
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one
CID 114445523
4-bromo-2-[2-(dimethylamino)ethyl]-5-(pentan-3-ylamino)pyridazin-3-one
CID 114431621
5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114443949
4-bromo-5-(2-cyclopropylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439471

Frequently Asked Questions

What is the IUPAC name of 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 114447043) is 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CN(C)CCn1ncc(N(C)CCCN)c(Br)c1=O.
What is the InChIKey of 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is DKICDZHKVZVPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5O/c1-16(2)7-8-18-12(19)11(13)10(9-15-18)17(3)6-4-5-14/h9H,4-8,14H2,1-3H3.
What are the key properties of 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 332.25 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114447043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).