7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane

C137H156Cl4N18O8+2 — CID 160933622

IUPAC7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane
SMILESC.CC(C)(C)c1ccc(OC2=CC3N=CN=[N+]3C=C2)c(Cl)c1.CC(C)(C)c1ccc(Oc2ccc3ncnn3c2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OC1=CC2N=CN=[N+]2C=C1.Cc1cc(C(C)(C)C)ccc1Oc1ccc2ncnn2c1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2c(C)cnc2c1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2C)cn1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2Cl)cn1.Cc1cnc2cc(Oc3ccc(C(C)(C)C)cc3Cl)ccn12
InChIInChI=1S/C19H22N2O.C18H19ClN2O.C17H19N3O.C17H20N3O.C17H21NO.C16H16ClN3O.C16H17ClN3O.C16H18ClNO.CH4/c1-13-10-15(19(3,4)5)6-7-17(13)22-16-8-9-21-14(2)12-20-18(21)11-16;1-12-11-20-17-10-14(7-8-21(12)17)22-16-6-5-13(9-15(16)19)18(2,3)4;1-12-9-13(17(2,3)4)5-7-15(12)21-14-6-8-16-18-11-19-20(16)10-14;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-12-10-14(17(3,4)5)7-9-16(12)19-15-8-6-13(2)18-11-15;1-16(2,3)11-4-6-14(13(17)8-11)21-12-5-7-15-18-10-19-20(15)9-12;1-16(2,3)11-4-5-14(13(17)8-11)21-12-6-7-20-15(9-12)18-10-19-20;1-11-5-7-13(10-18-11)19-15-8-6-12(9-14(15)17)16(2,3)4;/h6-12H,1-5H3;5-11H,1-4H3;5-11H,1-4H3;5-11,16H,1-4H3;6-11H,1-5H3;4-10H,1-3H3;4-10,15H,1-3H3;5-10H,1-4H3;1H4/q;;;+1;;;+1;;
InChIKeyIXUFRQVJVNXVBG-UHFFFAOYSA-N
MW2324.68 g/mol
LogP37.76
Rot. Bonds16

About 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane

7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane (PubChem CID 160933622) has the molecular formula C137H156Cl4N18O8+2 and a molecular weight of 2324.68 g/mol. Its IUPAC name is 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane.

Molecular Properties

Compound Name7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane
PubChem CID160933622
Molecular FormulaC137H156Cl4N18O8+2
Molecular Weight2324.68 g/mol
Exact Mass2321.11
IUPAC Name7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane
SMILESC.CC(C)(C)c1ccc(OC2=CC3N=CN=[N+]3C=C2)c(Cl)c1.CC(C)(C)c1ccc(Oc2ccc3ncnn3c2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OC1=CC2N=CN=[N+]2C=C1.Cc1cc(C(C)(C)C)ccc1Oc1ccc2ncnn2c1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2c(C)cnc2c1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2C)cn1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2Cl)cn1.Cc1cnc2cc(Oc3ccc(C(C)(C)C)cc3Cl)ccn12
InChIInChI=1S/C19H22N2O.C18H19ClN2O.C17H19N3O.C17H20N3O.C17H21NO.C16H16ClN3O.C16H17ClN3O.C16H18ClNO.CH4/c1-13-10-15(19(3,4)5)6-7-17(13)22-16-8-9-21-14(2)12-20-18(21)11-16;1-12-11-20-17-10-14(7-8-21(12)17)22-16-6-5-13(9-15(16)19)18(2,3)4;1-12-9-13(17(2,3)4)5-7-15(12)21-14-6-8-16-18-11-19-20(16)10-14;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-12-10-14(17(3,4)5)7-9-16(12)19-15-8-6-13(2)18-11-15;1-16(2,3)11-4-6-14(13(17)8-11)21-12-5-7-15-18-10-19-20(15)9-12;1-16(2,3)11-4-5-14(13(17)8-11)21-12-6-7-20-15(9-12)18-10-19-20;1-11-5-7-13(10-18-11)19-15-8-6-12(9-14(15)17)16(2,3)4;/h6-12H,1-5H3;5-11H,1-4H3;5-11H,1-4H3;5-11,16H,1-4H3;6-11H,1-5H3;4-10H,1-3H3;4-10,15H,1-3H3;5-10H,1-4H3;1H4/q;;;+1;;;+1;;
InChIKeyIXUFRQVJVNXVBG-UHFFFAOYSA-N
XLogP37.76
TPSA250.06 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002324.68
LogP ≤ 537.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane?
The IUPAC name of 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane (CID 160933622) is 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane.
What is the SMILES notation for 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane?
The canonical SMILES for 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane is C.CC(C)(C)c1ccc(OC2=CC3N=CN=[N+]3C=C2)c(Cl)c1.CC(C)(C)c1ccc(Oc2ccc3ncnn3c2)c(Cl)c1.Cc1cc(C(C)(C)C)ccc1OC1=CC2N=CN=[N+]2C=C1.Cc1cc(C(C)(C)C)ccc1Oc1ccc2ncnn2c1.Cc1cc(C(C)(C)C)ccc1Oc1ccn2c(C)cnc2c1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2C)cn1.Cc1ccc(Oc2ccc(C(C)(C)C)cc2Cl)cn1.Cc1cnc2cc(Oc3ccc(C(C)(C)C)cc3Cl)ccn12.
What is the InChIKey of 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane?
The InChIKey is IXUFRQVJVNXVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.C18H19ClN2O.C17H19N3O.C17H20N3O.C17H21NO.C16H16ClN3O.C16H17ClN3O.C16H18ClNO.CH4/c1-13-10-15(19(3,4)5)6-7-17(13)22-16-8-9-21-14(2)12-20-18(21)11-16;1-12-11-20-17-10-14(7-8-21(12)17)22-16-6-5-13(9-15(16)19)18(2,3)4;1-12-9-13(17(2,3)4)5-7-15(12)21-14-6-8-16-18-11-19-20(16)10-14;1-12-9-13(17(2,3)4)5-6-15(12)21-14-7-8-20-16(10-14)18-11-19-20;1-12-10-14(17(3,4)5)7-9-16(12)19-15-8-6-13(2)18-11-15;1-16(2,3)11-4-6-14(13(17)8-11)21-12-5-7-15-18-10-19-20(15)9-12;1-16(2,3)11-4-5-14(13(17)8-11)21-12-6-7-20-15(9-12)18-10-19-20;1-11-5-7-13(10-18-11)19-15-8-6-12(9-14(15)17)16(2,3)4;/h6-12H,1-5H3;5-11H,1-4H3;5-11H,1-4H3;5-11,16H,1-4H3;6-11H,1-5H3;4-10H,1-3H3;4-10,15H,1-3H3;5-10H,1-4H3;1H4/q;;;+1;;;+1;;.
What are the key properties of 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane?
7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane has a molecular weight of 2324.68 g/mol, XLogP of 37.76, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butyl-2-chlorophenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-chlorophenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-chlorophenoxy)-2-methylpyridine;6-(4-tert-butyl-2-chlorophenoxy)-[1,2,4]triazolo[1,5-a]pyridine;7-(4-tert-butyl-2-methylphenoxy)-8aH-[1,2,4]triazolo[1,5-a]pyridin-4-ium;7-(4-tert-butyl-2-methylphenoxy)-3-methylimidazo[1,2-a]pyridine;5-(4-tert-butyl-2-methylphenoxy)-2-methylpyridine;6-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;methane is sourced from PubChem (CID 160933622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).