5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one

C11H17BrN4O — CID 114445638

IUPAC5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC(CN)C2CC2)c(Br)c1=O
InChIInChI=1S/C11H17BrN4O/c1-2-16-11(17)10(12)9(6-14-16)15-8(5-13)7-3-4-7/h6-8,15H,2-5,13H2,1H3
InChIKeySVIRBYFFEBTBEQ-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.17
Rot. Bonds5

About 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one

5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one (PubChem CID 114445638) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one
PubChem CID114445638
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one
SMILESCCn1ncc(NC(CN)C2CC2)c(Br)c1=O
InChIInChI=1S/C11H17BrN4O/c1-2-16-11(17)10(12)9(6-14-16)15-8(5-13)7-3-4-7/h6-8,15H,2-5,13H2,1H3
InChIKeySVIRBYFFEBTBEQ-UHFFFAOYSA-N
XLogP1.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-(dicyclopropylmethylamino)-2-ethylpyridazin-3-one
CID 114435700
5-[(2-amino-1-cyclohexylethyl)amino]-4-bromo-2-propan-2-ylpyridazin-3-one
CID 114446840
4-bromo-2-ethyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114433364
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336
4-bromo-5-[1-(4-bromophenyl)ethylamino]-2-ethylpyridazin-3-one
CID 114435834
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 106738332
4-bromo-5-(dicyclopropylmethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114435685
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114435614
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-2-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridazin-3-one
CID 114436218
methyl 2-[5-bromo-4-(1-cyclopropylethylamino)-6-oxopyridazin-1-yl]acetate
CID 114433328

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one?
The IUPAC name of 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one (CID 114445638) is 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one?
The canonical SMILES for 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one is CCn1ncc(NC(CN)C2CC2)c(Br)c1=O.
What is the InChIKey of 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one?
The InChIKey is SVIRBYFFEBTBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-2-16-11(17)10(12)9(6-14-16)15-8(5-13)7-3-4-7/h6-8,15H,2-5,13H2,1H3.
What are the key properties of 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one?
5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one has a molecular weight of 301.19 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1-cyclopropylethyl)amino]-4-bromo-2-ethylpyridazin-3-one is sourced from PubChem (CID 114445638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).