5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one

C13H21BrN4O — CID 114446681

IUPAC5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC(N)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O/c1-8(2)7-18-13(19)12(14)11(6-17-18)16-5-10(15)9-3-4-9/h6,8-10,16H,3-5,7,15H2,1-2H3
InChIKeyGWKCCWDQHYVVIS-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.81
Rot. Bonds6

About 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one

5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114446681) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114446681
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC(N)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O/c1-8(2)7-18-13(19)12(14)11(6-17-18)16-5-10(15)9-3-4-9/h6,8-10,16H,3-5,7,15H2,1-2H3
InChIKeyGWKCCWDQHYVVIS-UHFFFAOYSA-N
XLogP1.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446694
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 114435149
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
4-bromo-5-(2-cyclopropylpropylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114442181
5-[(2-amino-3-hydroxybutyl)amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114445579
4-bromo-2-(2-methylpropyl)-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445066
4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114434695
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996
4-bromo-5-(2-ethoxyethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114433703
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433014
4-bromo-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136743
5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444194

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one (CID 114446681) is 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NCC(N)C2CC2)c(Br)c1=O.
What is the InChIKey of 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is GWKCCWDQHYVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-8(2)7-18-13(19)12(14)11(6-17-18)16-5-10(15)9-3-4-9/h6,8-10,16H,3-5,7,15H2,1-2H3.
What are the key properties of 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 329.24 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114446681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).