4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide

C12H13N3O2 — CID 14623690

IUPAC4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
SMILESCC1CC(=O)NN=C1c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13N3O2/c1-7-6-10(16)14-15-11(7)8-2-4-9(5-3-8)12(13)17/h2-5,7H,6H2,1H3,(H2,13,17)(H,14,16)
InChIKeyPAPSXQCELLJMJN-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.65
Rot. Bonds2

About 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide

4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide (PubChem CID 14623690) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
PubChem CID14623690
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide
SMILESCC1CC(=O)NN=C1c1ccc(C(N)=O)cc1
InChIInChI=1S/C12H13N3O2/c1-7-6-10(16)14-15-11(7)8-2-4-9(5-3-8)12(13)17/h2-5,7H,6H2,1H3,(H2,13,17)(H,14,16)
InChIKeyPAPSXQCELLJMJN-UHFFFAOYSA-N
XLogP0.65
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide (CID 14623690) is 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide is CC1CC(=O)NN=C1c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
The InChIKey is PAPSXQCELLJMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-6-10(16)14-15-11(7)8-2-4-9(5-3-8)12(13)17/h2-5,7H,6H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide?
4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide has a molecular weight of 231.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 14623690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).