4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one

C13H19BrN4O2 — CID 114436813

IUPAC4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCCNC2=O)c(Br)c1=O
InChIInChI=1S/C13H19BrN4O2/c1-2-3-7-18-13(20)11(14)10(8-16-18)17-9-5-4-6-15-12(9)19/h8-9,17H,2-7H2,1H3,(H,15,19)
InChIKeyDZANRIJZZGUIKZ-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.50
Rot. Bonds5

About 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one

4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 114436813) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
PubChem CID114436813
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCCNC2=O)c(Br)c1=O
InChIInChI=1S/C13H19BrN4O2/c1-2-3-7-18-13(20)11(14)10(8-16-18)17-9-5-4-6-15-12(9)19/h8-9,17H,2-7H2,1H3,(H,15,19)
InChIKeyDZANRIJZZGUIKZ-UHFFFAOYSA-N
XLogP1.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336
4-bromo-2-butyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440486
4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one
CID 114434811
4-bromo-2-butyl-5-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438353
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-propylpyridazin-3-one
CID 106996089
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 114439706
4-chloro-5-[(2-oxopiperidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114436804
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one (CID 114436813) is 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one is CCCCn1ncc(NC2CCCNC2=O)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is DZANRIJZZGUIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-2-3-7-18-13(20)11(14)10(8-16-18)17-9-5-4-6-15-12(9)19/h8-9,17H,2-7H2,1H3,(H,15,19).
What are the key properties of 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one?
4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 343.23 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114436813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).