5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one

C14H12N4O2 — CID 99844237

IUPAC5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one
SMILESCc1cnn(Cc2nnc(-c3ccccc3)o2)c(=O)c1
InChIInChI=1S/C14H12N4O2/c1-10-7-13(19)18(15-8-10)9-12-16-17-14(20-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyZWBZZYDGGXOTIJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one

5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one (PubChem CID 99844237) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one
PubChem CID99844237
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one
SMILESCc1cnn(Cc2nnc(-c3ccccc3)o2)c(=O)c1
InChIInChI=1S/C14H12N4O2/c1-10-7-13(19)18(15-8-10)9-12-16-17-14(20-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyZWBZZYDGGXOTIJ-UHFFFAOYSA-N
XLogP1.65
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one (CID 99844237) is 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one is Cc1cnn(Cc2nnc(-c3ccccc3)o2)c(=O)c1.
What is the InChIKey of 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one?
The InChIKey is ZWBZZYDGGXOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-10-7-13(19)18(15-8-10)9-12-16-17-14(20-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one?
5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one has a molecular weight of 268.28 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 99844237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).