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

C14H24BrN5O — CID 114444160

IUPAC5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(NC2CCCCC2N)c(Br)c1=O
InChIInChI=1S/C14H24BrN5O/c1-19(2)7-8-20-14(21)13(15)12(9-17-20)18-11-6-4-3-5-10(11)16/h9-11,18H,3-8,16H2,1-2H3
InChIKeyAIRDGAORYAISNK-UHFFFAOYSA-N
MW358.28 g/mol
LogP1.25
Rot. Bonds5

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

5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 114444160) has the molecular formula C14H24BrN5O and a molecular weight of 358.28 g/mol. Its IUPAC name is 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID114444160
Molecular FormulaC14H24BrN5O
Molecular Weight358.28 g/mol
Exact Mass357.12
IUPAC Name5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncc(NC2CCCCC2N)c(Br)c1=O
InChIInChI=1S/C14H24BrN5O/c1-19(2)7-8-20-14(21)13(15)12(9-17-20)18-11-6-4-3-5-10(11)16/h9-11,18H,3-8,16H2,1-2H3
InChIKeyAIRDGAORYAISNK-UHFFFAOYSA-N
XLogP1.25
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114443949
methyl 2-[4-[(2-aminocyclopentyl)amino]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114444860
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-chloro-2-[2-(dimethylamino)ethyl]-5-[(2-hydroxycyclohexyl)amino]pyridazin-3-one
CID 114437014
4-bromo-5-[(2-hydroxycycloheptyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114441398
4-bromo-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propylpyridazin-3-one
CID 106361979
4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436086
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-(pentan-3-ylamino)pyridazin-3-one
CID 114431621
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 114444160) is 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one is CN(C)CCn1ncc(NC2CCCCC2N)c(Br)c1=O.
What is the InChIKey of 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is AIRDGAORYAISNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN5O/c1-19(2)7-8-20-14(21)13(15)12(9-17-20)18-11-6-4-3-5-10(11)16/h9-11,18H,3-8,16H2,1-2H3.
What are the key properties of 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one?
5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 358.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114444160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).