4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one

C14H21BrN4O — CID 114436327

IUPAC4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(NC2CCN(C3CC3)C2)c(Br)c1=O
InChIInChI=1S/C14H21BrN4O/c1-9(2)19-14(20)13(15)12(7-16-19)17-10-5-6-18(8-10)11-3-4-11/h7,9-11,17H,3-6,8H2,1-2H3
InChIKeyFAEFAJOULUCNPJ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.24
Rot. Bonds4

About 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one

4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one (PubChem CID 114436327) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one
PubChem CID114436327
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(NC2CCN(C3CC3)C2)c(Br)c1=O
InChIInChI=1S/C14H21BrN4O/c1-9(2)19-14(20)13(15)12(7-16-19)17-10-5-6-18(8-10)11-3-4-11/h7,9-11,17H,3-6,8H2,1-2H3
InChIKeyFAEFAJOULUCNPJ-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(1-methylpiperidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 114434924
4-bromo-5-[[4-(methylamino)cyclohexyl]amino]-2-propan-2-ylpyridazin-3-one
CID 114446257
4-bromo-5-(oxan-4-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114433742
4-bromo-5-[(3,3-dimethylcyclopentyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114547965
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
4-bromo-5-[[2-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-ylpyridazin-3-one
CID 106362341
4-bromo-5-[(2-phenylcyclopropyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114436307
5-[(2-amino-1-cyclohexylethyl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114446840
4-bromo-5-(2,2-dimethylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114434796
4-bromo-2-propan-2-yl-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436905
4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one
CID 171527404
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114436316

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one (CID 114436327) is 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(NC2CCN(C3CC3)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one?
The InChIKey is FAEFAJOULUCNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-9(2)19-14(20)13(15)12(7-16-19)17-10-5-6-18(8-10)11-3-4-11/h7,9-11,17H,3-6,8H2,1-2H3.
What are the key properties of 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one?
4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one has a molecular weight of 341.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114436327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).