5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole

C13H12N6O — CID 72911845

IUPAC5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESCC(C)c1ncc(-c2nc(-c3cccnn3)no2)cn1
InChIInChI=1S/C13H12N6O/c1-8(2)11-14-6-9(7-15-11)13-17-12(19-20-13)10-4-3-5-16-18-10/h3-8H,1-2H3
InChIKeyZKRIUAKINXMZIG-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.11
Rot. Bonds3

About 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole

5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole (PubChem CID 72911845) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
PubChem CID72911845
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESCC(C)c1ncc(-c2nc(-c3cccnn3)no2)cn1
InChIInChI=1S/C13H12N6O/c1-8(2)11-14-6-9(7-15-11)13-17-12(19-20-13)10-4-3-5-16-18-10/h3-8H,1-2H3
InChIKeyZKRIUAKINXMZIG-UHFFFAOYSA-N
XLogP2.11
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2-propan-2-ylpyrimidin-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-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72925505
4-bromo-2-pyridazin-3-ylpyrimidine
CID 19050405
5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97122445
5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97279950
5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97117552
5-(5-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 70754605
N-[1-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]acetamide
CID 72940116
4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]benzamide
CID 56891914
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole
CID 70724719
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole (CID 72911845) is 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole is CC(C)c1ncc(-c2nc(-c3cccnn3)no2)cn1.
What is the InChIKey of 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
The InChIKey is ZKRIUAKINXMZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-8(2)11-14-6-9(7-15-11)13-17-12(19-20-13)10-4-3-5-16-18-10/h3-8H,1-2H3.
What are the key properties of 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole?
5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole has a molecular weight of 268.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 72911845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).