4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one

C12H15BrN4O — CID 69187857

IUPAC4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(-n2ccnc2)c(Br)c1=O
InChIInChI=1S/C12H15BrN4O/c1-2-3-4-6-17-12(18)11(13)10(8-15-17)16-7-5-14-9-16/h5,7-9H,2-4,6H2,1H3
InChIKeyUQMFAWMWPHKUAP-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.38
Rot. Bonds5

About 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one

4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one (PubChem CID 69187857) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one
PubChem CID69187857
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(-n2ccnc2)c(Br)c1=O
InChIInChI=1S/C12H15BrN4O/c1-2-3-4-6-17-12(18)11(13)10(8-15-17)16-7-5-14-9-16/h5,7-9H,2-4,6H2,1H3
InChIKeyUQMFAWMWPHKUAP-UHFFFAOYSA-N
XLogP2.38
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one
CID 69188393
4,5-dibromo-2-butylpyridazin-3-one
CID 10828722
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459
5-(3-amino-4-methylpyrrolidin-1-yl)-4-bromo-2-butylpyridazin-3-one
CID 103577536
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
1-butyl-N-(2-imidazol-1-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 47025477
4-bromo-2-butyl-5-[(3-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 114700839
4-bromo-2-butyl-5-[2-(1H-imidazol-5-yl)ethylamino]pyridazin-3-one
CID 114439392
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440323
4-bromo-2-butyl-5-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 114437871

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one?
The IUPAC name of 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one (CID 69187857) is 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one is CCCCCn1ncc(-n2ccnc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one?
The InChIKey is UQMFAWMWPHKUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-2-3-4-6-17-12(18)11(13)10(8-15-17)16-7-5-14-9-16/h5,7-9H,2-4,6H2,1H3.
What are the key properties of 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one?
4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one has a molecular weight of 311.18 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-imidazol-1-yl-2-pentylpyridazin-3-one is sourced from PubChem (CID 69187857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).