4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one

C14H22BrN3O — CID 114438460

IUPAC4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)C2CCCC2)c(Br)c1=O
InChIInChI=1S/C14H22BrN3O/c1-3-8-18-14(19)13(15)12(9-16-18)17-10(2)11-6-4-5-7-11/h9-11,17H,3-8H2,1-2H3
InChIKeyGYHCMXUKXKYXII-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.41
Rot. Bonds5

About 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one

4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one (PubChem CID 114438460) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
PubChem CID114438460
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)C2CCCC2)c(Br)c1=O
InChIInChI=1S/C14H22BrN3O/c1-3-8-18-14(19)13(15)12(9-16-18)17-10(2)11-6-4-5-7-11/h9-11,17H,3-8H2,1-2H3
InChIKeyGYHCMXUKXKYXII-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-2-butyl-5-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438353
methyl 2-[5-bromo-4-(1-cyclopropylethylamino)-6-oxopyridazin-1-yl]acetate
CID 114433328
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433364
4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
CID 114435700
4-bromo-5-(4-methylsulfinylbutan-2-ylamino)-2-propylpyridazin-3-one
CID 114442791
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
4-bromo-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
CID 114436429
4-bromo-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propylpyridazin-3-one
CID 106361979

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one (CID 114438460) is 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC(C)C2CCCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one?
The InChIKey is GYHCMXUKXKYXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-3-8-18-14(19)13(15)12(9-16-18)17-10(2)11-6-4-5-7-11/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one?
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one has a molecular weight of 328.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114438460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).