2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)

C34H60N10O — CID 163923227

IUPAC2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)
SMILESCC(C)c1ccc(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H16N2.2C8H15N3.C8H14N2O/c1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3
InChIKeyRCFZIPZRPVNJNA-UHFFFAOYSA-N
MW624.92 g/mol
LogP9.00
Rot. Bonds8

About 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)

2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole) (PubChem CID 163923227) has the molecular formula C34H60N10O and a molecular weight of 624.92 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole).

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)
PubChem CID163923227
Molecular FormulaC34H60N10O
Molecular Weight624.92 g/mol
Exact Mass624.50
IUPAC Name2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)
SMILESCC(C)c1ccc(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1nnc(C(C)C)o1
InChIInChI=1S/C10H16N2.2C8H15N3.C8H14N2O/c1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3
InChIKeyRCFZIPZRPVNJNA-UHFFFAOYSA-N
XLogP9.00
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500624.92
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole) 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

(1S)-1-(1-propan-2-yltriazol-4-yl)ethanol
CID 124596958
3,5-di(propan-2-yl)-3H-pyrazole;1,4-di(propan-2-yl)triazole
CID 165046807
2,4-dimethylpentane;bis(1,4-di(propan-2-yl)triazole);bis(1,5-di(propan-2-yl)triazole)
CID 158086166
1,4-di(propan-2-yl)triazole;1,5-di(propan-2-yl)-2H-triazol-1-ium
CID 157157353
trimethyl-(1-propan-2-yltriazol-4-yl)silane
CID 140904244
2,5-di(propan-2-yl)pyrazolo[4,3-b]pyridine
CID 177260557
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 158635482
3-(4-bromophenyl)-6-propan-2-ylpyridazine
CID 118454795
2-(1-chloroethyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 16768064
1,4-di(propan-2-yl)triazole;[(4R,6S)-12-propan-2-yl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methyl 3-methylbutanoate
CID 163991599
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677
1-propan-2-yl-4-propan-2-ylsulfanyltriazole
CID 170416491

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)?
The IUPAC name of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole) (CID 163923227) is 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole).
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole) is CC(C)c1ccc(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1nnc(C(C)C)o1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)?
The InChIKey is RCFZIPZRPVNJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.2C8H15N3.C8H14N2O/c1-7(2)9-5-6-10(8(3)4)12-11-9;2*1-6(2)8-5-11(7(3)4)10-9-8;1-5(2)7-9-10-8(11-7)6(3)4/h5-8H,1-4H3;2*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole)?
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole) has a molecular weight of 624.92 g/mol, XLogP of 9.00, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,6-di(propan-2-yl)pyridazine;bis(1,4-di(propan-2-yl)triazole) is sourced from PubChem (CID 163923227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).