2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one

C13H10N4O2 — CID 57413400

IUPAC2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one
SMILESCn1nc(-c2nnc(-c3ccccc3)o2)ccc1=O
InChIInChI=1S/C13H10N4O2/c1-17-11(18)8-7-10(16-17)13-15-14-12(19-13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyYOZUXPSFBYCPBO-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.50
Rot. Bonds2

About 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one

2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one (PubChem CID 57413400) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one
PubChem CID57413400
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one
SMILESCn1nc(-c2nnc(-c3ccccc3)o2)ccc1=O
InChIInChI=1S/C13H10N4O2/c1-17-11(18)8-7-10(16-17)13-15-14-12(19-13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyYOZUXPSFBYCPBO-UHFFFAOYSA-N
XLogP1.50
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-6-(4-phenylphenyl)pyridazin-3-one
CID 57150273
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
6-(5-amino-6-bromo-3-phenylpyrazin-2-yl)-2-methylpyridazin-3-one
CID 86074880
2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
CID 59236801
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-[2,6-dimethyl-4-[5-(1-methyl-5-phenylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetaldehyde
CID 87285634
2-(1,5-dimethylpyrrol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 71563567
6-[5-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]-2-methylpyridazin-3-one
CID 154662310
6-[5-amino-6-(furan-2-yl)-3-phenylpyrazin-2-yl]-2-methylpyridazin-3-one
CID 69331914
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyridazin-3-one
CID 83274107

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one (CID 57413400) is 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one is Cn1nc(-c2nnc(-c3ccccc3)o2)ccc1=O.
What is the InChIKey of 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one?
The InChIKey is YOZUXPSFBYCPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-17-11(18)8-7-10(16-17)13-15-14-12(19-13)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one?
2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one has a molecular weight of 254.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyridazin-3-one is sourced from PubChem (CID 57413400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).