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

C12H18BrN3O2 — CID 114439303

IUPAC4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
SMILESCCn1ncc(NCC2(O)CCCC2)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-2-16-11(17)10(13)9(7-15-16)14-8-12(18)5-3-4-6-12/h7,14,18H,2-6,8H2,1H3
InChIKeyCWPHBWNKZGYVCT-UHFFFAOYSA-N
MW316.20 g/mol
LogP1.74
Rot. Bonds4

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

4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one (PubChem CID 114439303) has the molecular formula C12H18BrN3O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
PubChem CID114439303
Molecular FormulaC12H18BrN3O2
Molecular Weight316.20 g/mol
Exact Mass315.06
IUPAC Name4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
SMILESCCn1ncc(NCC2(O)CCCC2)c(Br)c1=O
InChIInChI=1S/C12H18BrN3O2/c1-2-16-11(17)10(13)9(7-15-16)14-8-12(18)5-3-4-6-12/h7,14,18H,2-6,8H2,1H3
InChIKeyCWPHBWNKZGYVCT-UHFFFAOYSA-N
XLogP1.74
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 114439301
4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114439333
4-bromo-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114439345
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-2-ethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913854
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
CID 114436162
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]ethylurea
CID 114441212
5-[(1-aminocyclobutyl)methylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 103353859
4-bromo-2-ethyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440325
4-bromo-2-ethyl-5-[(2-hydroxy-2,4-dimethylpentyl)amino]pyridazin-3-one
CID 114439802
4-chloro-5-[(1-hydroxycyclohexyl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115899027

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one (CID 114439303) is 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one is CCn1ncc(NCC2(O)CCCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one?
The InChIKey is CWPHBWNKZGYVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2/c1-2-16-11(17)10(13)9(7-15-16)14-8-12(18)5-3-4-6-12/h7,14,18H,2-6,8H2,1H3.
What are the key properties of 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one?
4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one has a molecular weight of 316.20 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114439303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).