3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride

C14H15ClN4O — CID 3021728

IUPAC3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride
SMILESCC1CC(=O)NN=C1c1ccc(-n2ccnc2)cc1.Cl
InChIInChI=1S/C14H14N4O.ClH/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18;/h2-7,9-10H,8H2,1H3,(H,16,19);1H
InChIKeyKVDAKRXRZYHBMP-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.15
Rot. Bonds2

About 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride

3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride (PubChem CID 3021728) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride.

Molecular Properties

Compound Name3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride
PubChem CID3021728
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride
SMILESCC1CC(=O)NN=C1c1ccc(-n2ccnc2)cc1.Cl
InChIInChI=1S/C14H14N4O.ClH/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18;/h2-7,9-10H,8H2,1H3,(H,16,19);1H
InChIKeyKVDAKRXRZYHBMP-UHFFFAOYSA-N
XLogP2.15
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride?
The IUPAC name of 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride (CID 3021728) is 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride.
What is the SMILES notation for 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride?
The canonical SMILES for 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride is CC1CC(=O)NN=C1c1ccc(-n2ccnc2)cc1.Cl.
What is the InChIKey of 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride?
The InChIKey is KVDAKRXRZYHBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.ClH/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18;/h2-7,9-10H,8H2,1H3,(H,16,19);1H.
What are the key properties of 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride?
3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-imidazol-1-ylphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one;hydrochloride is sourced from PubChem (CID 3021728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).