4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one

C13H20BrN3O2 — CID 106136679

IUPAC4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCC(O)C2)c(Br)c1=O
InChIInChI=1S/C13H20BrN3O2/c1-2-5-17-13(19)12(14)11(8-16-17)15-7-9-3-4-10(18)6-9/h8-10,15,18H,2-7H2,1H3
InChIKeyXVRMGKAMIVZXFQ-UHFFFAOYSA-N
MW330.23 g/mol
LogP1.99
Rot. Bonds5

About 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one

4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one (PubChem CID 106136679) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
PubChem CID106136679
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CCC(O)C2)c(Br)c1=O
InChIInChI=1S/C13H20BrN3O2/c1-2-5-17-13(19)12(14)11(8-16-17)15-7-9-3-4-10(18)6-9/h8-10,15,18H,2-7H2,1H3
InChIKeyXVRMGKAMIVZXFQ-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 107414035
4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114439861
4-bromo-5-[(1,4-dimethylpiperazin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438212
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(3-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 106136666
4-bromo-5-[(3-hydroxycyclohexyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106136782
4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750
4-bromo-2-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridazin-3-one
CID 114436218
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177
4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 114442437
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one (CID 106136679) is 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCC2CCC(O)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is XVRMGKAMIVZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-2-5-17-13(19)12(14)11(8-16-17)15-7-9-3-4-10(18)6-9/h8-10,15,18H,2-7H2,1H3.
What are the key properties of 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one?
4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 330.23 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 106136679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).