4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one

C11H15N5O — CID 114392088

IUPAC4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCCCCn2ccnc2)cn[nH]1
InChIInChI=1S/C11H15N5O/c17-11-7-10(8-14-15-11)13-3-1-2-5-16-6-4-12-9-16/h4,6-9H,1-3,5H2,(H2,13,15,17)
InChIKeyZPLMQMBHUPBPGT-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.86
Rot. Bonds6

About 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one

4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one (PubChem CID 114392088) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
PubChem CID114392088
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
SMILESO=c1cc(NCCCCn2ccnc2)cn[nH]1
InChIInChI=1S/C11H15N5O/c17-11-7-10(8-14-15-11)13-3-1-2-5-16-6-4-12-9-16/h4,6-9H,1-3,5H2,(H2,13,15,17)
InChIKeyZPLMQMBHUPBPGT-UHFFFAOYSA-N
XLogP0.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.86
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-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid
CID 82535210
4-(3-hydroxypropylamino)-1H-pyridazin-6-one
CID 114391926
5-chloro-4-(3-imidazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 78913344
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
7-(4-imidazol-1-ylbutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282513
2,6-difluoro-N-(4-imidazol-1-ylbutyl)-4-nitroaniline
CID 103946568
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535
4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973860
5-amino-4-(4-imidazol-1-ylbutylamino)-1H-pyrimidin-6-one
CID 136975184
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273
5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
CID 115576990

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one (CID 114392088) is 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one is O=c1cc(NCCCCn2ccnc2)cn[nH]1.
What is the InChIKey of 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one?
The InChIKey is ZPLMQMBHUPBPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c17-11-7-10(8-14-15-11)13-3-1-2-5-16-6-4-12-9-16/h4,6-9H,1-3,5H2,(H2,13,15,17).
What are the key properties of 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one?
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one has a molecular weight of 233.28 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 114392088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).