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

C15H25BrN4O — CID 106644106

IUPAC4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
SMILESCCCN(CC1CCCNC1)c1cnn(CC)c(=O)c1Br
InChIInChI=1S/C15H25BrN4O/c1-3-8-19(11-12-6-5-7-17-9-12)13-10-18-20(4-2)15(21)14(13)16/h10,12,17H,3-9,11H2,1-2H3
InChIKeyMABLSEVKVIYQRR-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.24
Rot. Bonds6

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

4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one (PubChem CID 106644106) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
PubChem CID106644106
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
SMILESCCCN(CC1CCCNC1)c1cnn(CC)c(=O)c1Br
InChIInChI=1S/C15H25BrN4O/c1-3-8-19(11-12-6-5-7-17-9-12)13-10-18-20(4-2)15(21)14(13)16/h10,12,17H,3-9,11H2,1-2H3
InChIKeyMABLSEVKVIYQRR-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-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 106620067
4-bromo-2-(2-hydroxyethyl)-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619580
4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
CID 114446386
4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618950
4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
CID 106643487
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
CID 106642106
4-bromo-2-(cyclopropylmethyl)-5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619493
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
2-bromo-6-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644108
4-bromo-2-ethyl-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445059

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one (CID 106644106) is 4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one is CCCN(CC1CCCNC1)c1cnn(CC)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one?
The InChIKey is MABLSEVKVIYQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-3-8-19(11-12-6-5-7-17-9-12)13-10-18-20(4-2)15(21)14(13)16/h10,12,17H,3-9,11H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one?
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-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-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 106644106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).