5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole

C17H12N6O — CID 72925505

IUPAC5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESCc1ncc(-c2nc(-c3cccnn3)no2)c(-c2ccccc2)n1
InChIInChI=1S/C17H12N6O/c1-11-18-10-13(15(20-11)12-6-3-2-4-7-12)17-21-16(23-24-17)14-8-5-9-19-22-14/h2-10H,1H3
InChIKeyOOZGYCHHQXMURK-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.96
Rot. Bonds3

About 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole

5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole (PubChem CID 72925505) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
PubChem CID72925505
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Name5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESCc1ncc(-c2nc(-c3cccnn3)no2)c(-c2ccccc2)n1
InChIInChI=1S/C17H12N6O/c1-11-18-10-13(15(20-11)12-6-3-2-4-7-12)17-21-16(23-24-17)14-8-5-9-19-22-14/h2-10H,1H3
InChIKeyOOZGYCHHQXMURK-UHFFFAOYSA-N
XLogP2.96
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72911845
5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97117552
3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole
CID 70724719
5-(5-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 70754605
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
5-(2,4-dimethylpyrimidin-5-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 99821058
3-(1,1-dimethyl-3,4-diphenyl-5-pyridazin-3-ylsilol-2-yl)pyridazine
CID 18792361
3-(3-chlorophenyl)-5-(2-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 25264646
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071
5-(furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-ylpyrimidine
CID 141360425
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104743077

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole (CID 72925505) is 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole is Cc1ncc(-c2nc(-c3cccnn3)no2)c(-c2ccccc2)n1.
What is the InChIKey of 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The InChIKey is OOZGYCHHQXMURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c1-11-18-10-13(15(20-11)12-6-3-2-4-7-12)17-21-16(23-24-17)14-8-5-9-19-22-14/h2-10H,1H3.
What are the key properties of 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole has a molecular weight of 316.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 72925505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).