4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one

C14H22BrN3O2 — CID 114439301

IUPAC4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCC2(O)CCCC2)c(Br)c1=O
InChIInChI=1S/C14H22BrN3O2/c1-2-3-8-18-13(19)12(15)11(9-17-18)16-10-14(20)6-4-5-7-14/h9,16,20H,2-8,10H2,1H3
InChIKeyVYJYVHBNNVSDAP-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.52
Rot. Bonds6

About 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one

4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one (PubChem CID 114439301) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
PubChem CID114439301
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCC2(O)CCCC2)c(Br)c1=O
InChIInChI=1S/C14H22BrN3O2/c1-2-3-8-18-13(19)12(15)11(9-17-18)16-10-14(20)6-4-5-7-14/h9,16,20H,2-8,10H2,1H3
InChIKeyVYJYVHBNNVSDAP-UHFFFAOYSA-N
XLogP2.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 114439303
4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114439333
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459
4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440323
4-bromo-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114439345
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
CID 106149044
5-[(1-aminocyclobutyl)methylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 103353859

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one (CID 114439301) is 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one is CCCCn1ncc(NCC2(O)CCCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The InChIKey is VYJYVHBNNVSDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-2-3-8-18-13(19)12(15)11(9-17-18)16-10-14(20)6-4-5-7-14/h9,16,20H,2-8,10H2,1H3.
What are the key properties of 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one?
4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one has a molecular weight of 344.25 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114439301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).