5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one

C10H16BrN3O — CID 114386132

IUPAC5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one
SMILESCC(C)C(C)CNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-6(2)7(3)4-12-8-5-13-14-10(15)9(8)11/h5-7H,4H2,1-3H3,(H2,12,14,15)
InChIKeyRXVSVKVODQURJQ-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.24
Rot. Bonds4

About 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one

5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one (PubChem CID 114386132) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one
PubChem CID114386132
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one
SMILESCC(C)C(C)CNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O/c1-6(2)7(3)4-12-8-5-13-14-10(15)9(8)11/h5-7H,4H2,1-3H3,(H2,12,14,15)
InChIKeyRXVSVKVODQURJQ-UHFFFAOYSA-N
XLogP2.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyridazin-6-one
CID 114386142
5-bromo-4-[(4-hydroxy-3-methylbutan-2-yl)amino]-1H-pyridazin-6-one
CID 114386278
methyl 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114385913
5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
CID 115577041
5-bromo-4-(1-methoxypropan-2-ylamino)-1H-pyridazin-6-one
CID 115576956
N-[2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]ethyl]methanesulfonamide
CID 114385927
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-3-methylbutanamide
CID 106346090
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
CID 78966968
5-bromo-4-(5-hydroxypentylamino)-1H-pyridazin-6-one
CID 107318148
5-bromo-4-(4-ethylsulfanylbutan-2-ylamino)-1H-pyridazin-6-one
CID 114386315
2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]-N-propylpropanamide
CID 115577016
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one
CID 106418541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one (CID 114386132) is 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one is CC(C)C(C)CNc1cn[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one?
The InChIKey is RXVSVKVODQURJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-6(2)7(3)4-12-8-5-13-14-10(15)9(8)11/h5-7H,4H2,1-3H3,(H2,12,14,15).
What are the key properties of 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one?
5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one has a molecular weight of 274.16 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114386132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).