4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one

C15H25BrN4O — CID 114446386

IUPAC4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(CC)CC2CCNCC2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-3-9-20-15(21)14(16)13(10-18-20)19(4-2)11-12-5-7-17-8-6-12/h10,12,17H,3-9,11H2,1-2H3
InChIKeyULTHYZPQAMXBNC-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.24
Rot. Bonds6

About 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one

4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one (PubChem CID 114446386) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
PubChem CID114446386
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(CC)CC2CCNCC2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-3-9-20-15(21)14(16)13(10-18-20)19(4-2)11-12-5-7-17-8-6-12/h10,12,17H,3-9,11H2,1-2H3
InChIKeyULTHYZPQAMXBNC-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
4-bromo-2-(cyclopropylmethyl)-5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619493
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 106620067
5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one
CID 114443755
4-bromo-2-(2-hydroxyethyl)-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619580
4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one
CID 114445240
4-bromo-2-(2-hydroxyethyl)-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444964
4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
4-chloro-5-[cyclopropyl(piperidin-4-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 114446401
4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446640
5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 107174264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one (CID 114446386) is 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one is CCCn1ncc(N(CC)CC2CCNCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one?
The InChIKey is ULTHYZPQAMXBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-3-9-20-15(21)14(16)13(10-18-20)19(4-2)11-12-5-7-17-8-6-12/h10,12,17H,3-9,11H2,1-2H3.
What are the key properties of 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one?
4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114446386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).