8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane

C66H116N14 — CID 157144815

IUPAC8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)c1ccnc2cccn12.CC(C)(C)c1ccnc2cccn12.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnn2ccnc12.CC(C)(C)c1ncnc2nc[nH]c12
InChIInChI=1S/2C11H14N2.2C10H13N3.C9H12N4.5C2H6.5CH4/c2*1-11(2,3)9-6-7-12-10-5-4-8-13(9)10;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;1-10(2,3)8-4-5-12-13-7-6-11-9(8)13;1-9(2,3)7-6-8(12-4-10-6)13-5-11-7;5*1-2;;;;;/h2*4-8H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H,10,11,12,13);5*1-2H3;5*1H4
InChIKeyAKOWNEJAGUKNLB-UHFFFAOYSA-N
MW1105.75 g/mol
LogP19.28
Rot. Bonds

About 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane

8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane (PubChem CID 157144815) has the molecular formula C66H116N14 and a molecular weight of 1105.75 g/mol. Its IUPAC name is 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane.

Molecular Properties

Compound Name8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane
PubChem CID157144815
Molecular FormulaC66H116N14
Molecular Weight1105.75 g/mol
Exact Mass1104.95
IUPAC Name8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane
SMILESC.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)c1ccnc2cccn12.CC(C)(C)c1ccnc2cccn12.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnn2ccnc12.CC(C)(C)c1ncnc2nc[nH]c12
InChIInChI=1S/2C11H14N2.2C10H13N3.C9H12N4.5C2H6.5CH4/c2*1-11(2,3)9-6-7-12-10-5-4-8-13(9)10;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;1-10(2,3)8-4-5-12-13-7-6-11-9(8)13;1-9(2,3)7-6-8(12-4-10-6)13-5-11-7;5*1-2;;;;;/h2*4-8H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H,10,11,12,13);5*1-2H3;5*1H4
InChIKeyAKOWNEJAGUKNLB-UHFFFAOYSA-N
XLogP19.28
TPSA149.44 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001105.75
LogP ≤ 519.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane with MolForge

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Related Compounds

US9266891, III-47
CID 76070844
US9266891, III-53
CID 76070954
US10544143, Example 981
CID 138686545
US10544143, Example 984
CID 138725605
US10328074, Example III-47
CID 121325615
US10730877, Example 78
CID 138686259
US10544143, Example 980
CID 138686517
US10544143, Example 73
CID 138686806
US10544143, Example 48
CID 138686945
US10730877, Example 786
CID 138686948
US10544143, Example 76
CID 138725357
US10730877, Example 783
CID 138725704

Frequently Asked Questions

What is the IUPAC name of 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane?
The IUPAC name of 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane (CID 157144815) is 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane.
What is the SMILES notation for 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane?
The canonical SMILES for 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane is C.C.C.C.C.CC.CC.CC.CC.CC.CC(C)(C)c1ccnc2cccn12.CC(C)(C)c1ccnc2cccn12.CC(C)(C)c1ccnc2ccnn12.CC(C)(C)c1ccnn2ccnc12.CC(C)(C)c1ncnc2nc[nH]c12.
What is the InChIKey of 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane?
The InChIKey is AKOWNEJAGUKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H14N2.2C10H13N3.C9H12N4.5C2H6.5CH4/c2*1-11(2,3)9-6-7-12-10-5-4-8-13(9)10;1-10(2,3)8-4-6-11-9-5-7-12-13(8)9;1-10(2,3)8-4-5-12-13-7-6-11-9(8)13;1-9(2,3)7-6-8(12-4-10-6)13-5-11-7;5*1-2;;;;;/h2*4-8H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H,10,11,12,13);5*1-2H3;5*1H4.
What are the key properties of 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane?
8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane has a molecular weight of 1105.75 g/mol, XLogP of 19.28, 0 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-7H-purine;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrrolo[1,2-a]pyrimidine);ethane;methane is sourced from PubChem (CID 157144815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).