2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane

C75H134N18 — CID 157063782

IUPAC2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane
SMILESC.C.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cncc(C(C)C)n1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C11H17N.2C10H16N2.2C9H16N2.3C8H15N3.2CH4/c1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;;/h5-9H,1-4H3;2*5-8H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3;2*1H4
InChIKeyABQCKEQDCUXYBL-UHFFFAOYSA-N
MW1288.02 g/mol
LogP21.17
Rot. Bonds16

About 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane

2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane (PubChem CID 157063782) has the molecular formula C75H134N18 and a molecular weight of 1288.02 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane
PubChem CID157063782
Molecular FormulaC75H134N18
Molecular Weight1288.02 g/mol
Exact Mass1287.10
IUPAC Name2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane
SMILESC.C.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cncc(C(C)C)n1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C11H17N.2C10H16N2.2C9H16N2.3C8H15N3.2CH4/c1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;;/h5-9H,1-4H3;2*5-8H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3;2*1H4
InChIKeyABQCKEQDCUXYBL-UHFFFAOYSA-N
XLogP21.17
TPSA192.22 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.02
LogP ≤ 521.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane?
The IUPAC name of 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane (CID 157063782) is 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane.
What is the SMILES notation for 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane?
The canonical SMILES for 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane is C.C.CC(C)c1cccc(C(C)C)n1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cncc(C(C)C)n1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.
What is the InChIKey of 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane?
The InChIKey is ABQCKEQDCUXYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.2C10H16N2.2C9H16N2.3C8H15N3.2CH4/c1-8(2)10-6-5-7-11(12-10)9(3)4;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-6-10(12-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)9-5-6-11(10-9)8(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;;/h5-9H,1-4H3;2*5-8H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3;2*1H4.
What are the key properties of 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane?
2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane has a molecular weight of 1288.02 g/mol, XLogP of 21.17, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)pyrazine;2,6-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,6-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;methane is sourced from PubChem (CID 157063782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).