4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one

C15H25BrN4O — CID 114432269

IUPAC4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one
SMILESCCn1ncc(NCCCN2CCCCC2C)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-3-20-15(21)14(16)13(11-18-20)17-8-6-10-19-9-5-4-7-12(19)2/h11-12,17H,3-10H2,1-2H3
InChIKeyCCQFBMCJOLGDJM-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.70
Rot. Bonds6

About 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one

4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one (PubChem CID 114432269) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one
PubChem CID114432269
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one
SMILESCCn1ncc(NCCCN2CCCCC2C)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-3-20-15(21)14(16)13(11-18-20)17-8-6-10-19-9-5-4-7-12(19)2/h11-12,17H,3-10H2,1-2H3
InChIKeyCCQFBMCJOLGDJM-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325882
4-bromo-5-[3-(dimethylamino)propylamino]-2-ethylpyridazin-3-one
CID 114432587
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-2-ethyl-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445059
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-2-ethyl-5-(3-phenoxypropylamino)pyridazin-3-one
CID 114437016
4-bromo-2-(cyclopropylmethyl)-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444121
4-bromo-5-[3-(cyclopropylamino)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114443989
5-bromo-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pyridin-2-amine
CID 79718768
6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
CID 81229069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one (CID 114432269) is 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one is CCn1ncc(NCCCN2CCCCC2C)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one?
The InChIKey is CCQFBMCJOLGDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-3-20-15(21)14(16)13(11-18-20)17-8-6-10-19-9-5-4-7-12(19)2/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one?
4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one is sourced from PubChem (CID 114432269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).