5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one

C10H12BrN5O — CID 115579247

IUPAC5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCCn2cccn2)c1Br
InChIInChI=1S/C10H12BrN5O/c11-9-8(7-13-15-10(9)17)12-3-1-5-16-6-2-4-14-16/h2,4,6-7H,1,3,5H2,(H2,12,15,17)
InChIKeySIRMPQXAMHMNSI-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.23
Rot. Bonds5

About 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one

5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one (PubChem CID 115579247) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one
PubChem CID115579247
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCCn2cccn2)c1Br
InChIInChI=1S/C10H12BrN5O/c11-9-8(7-13-15-10(9)17)12-3-1-5-16-6-2-4-14-16/h2,4,6-7H,1,3,5H2,(H2,12,15,17)
InChIKeySIRMPQXAMHMNSI-UHFFFAOYSA-N
XLogP1.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
CID 115576990
5-bromo-4-(5-hydroxypentylamino)-1H-pyridazin-6-one
CID 107318148
3-(3-pyrazol-1-ylpropylamino)-1H-pyrazin-2-one
CID 115657026
4-[3-[benzyl(methyl)amino]propylamino]-5-bromo-1H-pyridazin-6-one
CID 115577028
N-(3-pyrazol-1-ylpropyl)pyrazin-2-amine
CID 115580003
6-amino-7-(3-pyrazol-1-ylpropylamino)-3H-quinazolin-4-one
CID 136824777
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19479469
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one
CID 114386132
5-bromo-3-methyl-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112697448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one (CID 115579247) is 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCCCn2cccn2)c1Br.
What is the InChIKey of 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one?
The InChIKey is SIRMPQXAMHMNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c11-9-8(7-13-15-10(9)17)12-3-1-5-16-6-2-4-14-16/h2,4,6-7H,1,3,5H2,(H2,12,15,17).
What are the key properties of 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one?
5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one has a molecular weight of 298.14 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 115579247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).