1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole

C52H79N15O2 — CID 161324049

IUPAC1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1cccnn1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)n1cnnc1
InChIInChI=1S/C7H10N2.C7H12N2.3C7H10N2.2C6H9NO.C5H9N3/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)8-3-6-7-4-8/h3-6H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyVKNJCYCGHNNXTF-UHFFFAOYSA-N
MW946.31 g/mol
LogP12.40
Rot. Bonds8

About 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole

1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole (PubChem CID 161324049) has the molecular formula C52H79N15O2 and a molecular weight of 946.31 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole
PubChem CID161324049
Molecular FormulaC52H79N15O2
Molecular Weight946.31 g/mol
Exact Mass945.65
IUPAC Name1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1cccnn1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)n1cnnc1
InChIInChI=1S/C7H10N2.C7H12N2.3C7H10N2.2C6H9NO.C5H9N3/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)8-3-6-7-4-8/h3-6H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;3*3-5H,1-2H3
InChIKeyVKNJCYCGHNNXTF-UHFFFAOYSA-N
XLogP12.40
TPSA203.71 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.31
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole with MolForge

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Related Compounds

Methane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole
CID 157168114
1,2-di(propan-2-yl)benzene;4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,2-oxazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;4,5-di(propan-2-yl)pyridazine;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(4,5-di(propan-2-yl)pyrimidine);2,3-di(propan-2-yl)-1H-pyrrole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-3H-pyrrole;bis(4,5-di(propan-2-yl)triazine);bis(5,6-di(propan-2-yl)-1,2,4-triazine);ethane
CID 157360383
1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-triazole
CID 157705834
2,4-Dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;4,5-dimethyl-2-propan-2-yl-1,3-oxazole;methane;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 157904407
1,4-Dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;3,4,5-trimethyl-1,2-oxazole
CID 158143425
Benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
CID 158290483
3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane
CID 159096169
Cumene;ethane;methane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine
CID 159143693
3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane
CID 159239091
Cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine
CID 159481759
1-Methyl-5-propan-2-ylimidazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159773721
1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;bis(3H-pyrrole);4H-triazole
CID 160588220

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole (CID 161324049) is 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole is CC(C)c1cccnn1.CC(C)c1ccnn1C.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cnoc1.CC(C)n1cnnc1.
What is the InChIKey of 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole?
The InChIKey is VKNJCYCGHNNXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C7H12N2.3C7H10N2.2C6H9NO.C5H9N3/c1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)8-3-6-7-4-8/h3-6H,1-2H3;4-6H,1-3H3;3*3-6H,1-2H3;3*3-5H,1-2H3.
What are the key properties of 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole?
1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole has a molecular weight of 946.31 g/mol, XLogP of 12.40, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 161324049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).