2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine

C124H201N19 — CID 158122570

IUPAC2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cc(C(C)(C)C)cnn1.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1cncc(C(C)(C)C)c1.CC(C)c1cncc(C(C)(C)C)n1.CC(C)c1cnnc(C(C)(C)C)c1.CC(C)c1nccc(C(C)(C)C)n1.CC(C)c1ncnc(C(C)(C)C)n1
InChIInChI=1S/4C12H19N.6C11H18N2.C10H17N3/c1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-8(2)9-6-12-7-10(13-9)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-8(2)10-6-9(7-12-13-10)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-12-7-9;1-8(2)10-12-7-6-9(13-10)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-7(2)8-11-6-12-9(13-8)10(3,4)5/h4*6-9H,1-5H3;6*6-8H,1-5H3;6-7H,1-5H3
InChIKeyFRTWYVAQJHHZTB-UHFFFAOYSA-N
MW1958.10 g/mol
LogP33.69
Rot. Bonds11

About 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine

2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine (PubChem CID 158122570) has the molecular formula C124H201N19 and a molecular weight of 1958.10 g/mol. Its IUPAC name is 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine
PubChem CID158122570
Molecular FormulaC124H201N19
Molecular Weight1958.10 g/mol
Exact Mass1956.63
IUPAC Name2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine
SMILESCC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cc(C(C)(C)C)cnn1.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1cncc(C(C)(C)C)c1.CC(C)c1cncc(C(C)(C)C)n1.CC(C)c1cnnc(C(C)(C)C)c1.CC(C)c1nccc(C(C)(C)C)n1.CC(C)c1ncnc(C(C)(C)C)n1
InChIInChI=1S/4C12H19N.6C11H18N2.C10H17N3/c1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-8(2)9-6-12-7-10(13-9)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-8(2)10-6-9(7-12-13-10)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-12-7-9;1-8(2)10-12-7-6-9(13-10)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-7(2)8-11-6-12-9(13-8)10(3,4)5/h4*6-9H,1-5H3;6*6-8H,1-5H3;6-7H,1-5H3
InChIKeyFRTWYVAQJHHZTB-UHFFFAOYSA-N
XLogP33.69
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.10
LogP ≤ 533.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine 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

2-tert-butyl-5-propan-2-ylpyrazine;3-tert-butyl-6-propan-2-ylpyridazine;2-tert-butyl-5-propan-2-ylpyridine;2-tert-butyl-5-propan-2-ylpyrimidine;3-tert-butyl-6-propan-2-yl-1,2,4-triazine;3,5-ditert-butylpyridazine;2,4-ditert-butylpyridine;2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine;2,4-ditert-butyl-1,3,5-triazine;3,5-ditert-butyl-1,2,4-triazine;2,6-dimethylpyridine
CID 162151116
bis(2-tert-butyl-4-propan-2-ylpyridine);tris(2-tert-butyl-6-propan-2-ylpyridine);2-methoxy-6-propan-2-ylpyridine
CID 159786538
3,5-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 161232846
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;3,5-di(propan-2-yl)pyridine;ethane;methane
CID 159524432
4,6-ditert-butyl-3-methylpyridazine;bis(3,5-ditert-butylpyridazine);2,4-ditert-butylpyrimidine;4,6-ditert-butylpyrimidine
CID 164990705
2-tert-butylpyrazine;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;cumene;ethane;3-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 161423252
1-tert-butyl-3-methylbenzene;3-tert-butyl-5-methylpyridazine;5-tert-butyl-3-methylpyridazine;2-tert-butyl-4-methylpyridine;3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-tert-butyl-6-methylpyrimidine
CID 159854761
2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 158889204
1-tert-butyl-4-(4-tert-butylcyclohexyl)benzene;5-tert-butyl-2-(4-tert-butylcyclohexyl)pyridine;1-tert-butyl-4-(4-tert-butylphenyl)piperazine;1-tert-butyl-4-(5-tert-butyl-2-pyridinyl)piperazine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;1,3-ditert-butylbenzene;1,4-ditert-butylbenzene;1,4-ditert-butylpiperazine;bis(1,3-ditert-butylpiperidine);1,4-ditert-butylpiperidine;2,5-ditert-butylpyridine
CID 165086898
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
3-tert-butyl-5-propan-2-ylpyridine;ethane
CID 162747621
3-tert-butyl-5-propan-2-yl-1,2,4-triazine
CID 170117285

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine (CID 158122570) is 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine is CC(C)c1cc(C(C)(C)C)ccn1.CC(C)c1cc(C(C)(C)C)cnn1.CC(C)c1cc(C(C)(C)C)ncn1.CC(C)c1cccc(C(C)(C)C)n1.CC(C)c1ccnc(C(C)(C)C)c1.CC(C)c1ccnc(C(C)(C)C)n1.CC(C)c1cncc(C(C)(C)C)c1.CC(C)c1cncc(C(C)(C)C)n1.CC(C)c1cnnc(C(C)(C)C)c1.CC(C)c1nccc(C(C)(C)C)n1.CC(C)c1ncnc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine?
The InChIKey is FRTWYVAQJHHZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H19N.6C11H18N2.C10H17N3/c1-9(2)10-6-11(8-13-7-10)12(3,4)5;1-9(2)11-8-10(6-7-13-11)12(3,4)5;1-9(2)10-6-7-13-11(8-10)12(3,4)5;1-9(2)10-7-6-8-11(13-10)12(3,4)5;1-8(2)9-6-12-7-10(13-9)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-7-12-9;1-8(2)10-6-9(7-12-13-10)11(3,4)5;1-8(2)9-6-10(11(3,4)5)13-12-7-9;1-8(2)10-12-7-6-9(13-10)11(3,4)5;1-8(2)9-6-7-12-10(13-9)11(3,4)5;1-7(2)8-11-6-12-9(13-8)10(3,4)5/h4*6-9H,1-5H3;6*6-8H,1-5H3;6-7H,1-5H3.
What are the key properties of 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine?
2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine has a molecular weight of 1958.10 g/mol, XLogP of 33.69, 11 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-propan-2-ylpyrazine;3-tert-butyl-5-propan-2-ylpyridazine;5-tert-butyl-3-propan-2-ylpyridazine;2-tert-butyl-4-propan-2-ylpyridine;2-tert-butyl-6-propan-2-ylpyridine;3-tert-butyl-5-propan-2-ylpyridine;4-tert-butyl-2-propan-2-ylpyridine;2-tert-butyl-4-propan-2-ylpyrimidine;4-tert-butyl-2-propan-2-ylpyrimidine;4-tert-butyl-6-propan-2-ylpyrimidine;2-tert-butyl-4-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 158122570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).