5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one

C12H16N4O — CID 102485325

IUPAC5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one
SMILESCCCCn1ccnc1-c1cc(C)n[nH]c1=O
InChIInChI=1S/C12H16N4O/c1-3-4-6-16-7-5-13-11(16)10-8-9(2)14-15-12(10)17/h5,7-8H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyWTRRUMSTVXHLMH-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.74
Rot. Bonds4

About 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one

5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one (PubChem CID 102485325) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one
PubChem CID102485325
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one
SMILESCCCCn1ccnc1-c1cc(C)n[nH]c1=O
InChIInChI=1S/C12H16N4O/c1-3-4-6-16-7-5-13-11(16)10-8-9(2)14-15-12(10)17/h5,7-8H,3-4,6H2,1-2H3,(H,15,17)
InChIKeyWTRRUMSTVXHLMH-UHFFFAOYSA-N
XLogP1.74
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(1-prop-2-enylimidazol-2-yl)-1H-pyridazin-6-one
CID 102485327
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CID 134842555
3-(1-butylimidazol-2-yl)aniline
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1-butyl-2-iodoimidazole
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1-butylimidazol-2-amine
CID 60860613
1-butyl-2-pyrrol-1-ylimidazole
CID 174873943
3-methyl-5-propyl-1H-pyridazin-6-one
CID 54501816
3-[1-(3-aminopropyl)imidazol-2-yl]-7-methoxy-1H-quinolin-2-one;dihydrochloride
CID 154922122
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-butyl-2-propan-2-ylimidazole
CID 11506521
1-butyl-2-methylimidazole;methyl hydrogen carbonate
CID 175255728

Frequently Asked Questions

What is the IUPAC name of 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one (CID 102485325) is 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one is CCCCn1ccnc1-c1cc(C)n[nH]c1=O.
What is the InChIKey of 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is WTRRUMSTVXHLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-4-6-16-7-5-13-11(16)10-8-9(2)14-15-12(10)17/h5,7-8H,3-4,6H2,1-2H3,(H,15,17).
What are the key properties of 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one?
5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 232.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butylimidazol-2-yl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 102485325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).