3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one

C14H12N4O — CID 13475882

IUPAC3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one
SMILESCn1c(-c2ccc(=O)[nH]n2)cnc1-c1ccccc1
InChIInChI=1S/C14H12N4O/c1-18-12(11-7-8-13(19)17-16-11)9-15-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)
InChIKeyOGGNWRSLIZOXPG-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.84
Rot. Bonds2

About 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one

3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one (PubChem CID 13475882) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one
PubChem CID13475882
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one
SMILESCn1c(-c2ccc(=O)[nH]n2)cnc1-c1ccccc1
InChIInChI=1S/C14H12N4O/c1-18-12(11-7-8-13(19)17-16-11)9-15-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19)
InChIKeyOGGNWRSLIZOXPG-UHFFFAOYSA-N
XLogP1.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one (CID 13475882) is 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one is Cn1c(-c2ccc(=O)[nH]n2)cnc1-c1ccccc1.
What is the InChIKey of 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one?
The InChIKey is OGGNWRSLIZOXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-18-12(11-7-8-13(19)17-16-11)9-15-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,17,19).
What are the key properties of 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one?
3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one has a molecular weight of 252.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-phenylimidazol-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 13475882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).