4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole

C97H122N24O3S2 — CID 161457751

About 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole

4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 161457751) has the molecular formula C97H122N24O3S2 and a molecular weight of 1736.34 g/mol. Its IUPAC name is 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole
• PubChem CID: 161457751
• Molecular Formula: C97H122N24O3S2
• Molecular Weight: 1736.34 g/mol
• Exact Mass: 1734.96
• IUPAC Name: 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole
• SMILES: CC(C)C1=NC(c2ccncc2)NN1.CC(C)C1=NNC(C)N1C.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1.Cc1ccc(-c2nc(C(C)C)no2)cn1
• InChI: InChI=1S/C13H15NS.C12H15N3.C12H14N2S.C11H13N3O.C11H13N3.C11H12N2O.C10H14N4.C10H11N3O.C7H15N3/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-7(2)10-13-11(15-14-10)9-5-4-8(3)12-6-9;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-5(2)7-9-8-6(3)10(7)4/h4-9H,1-3H3;4-8H,1-3H3,(H,13,14,15);4-8H,1-3H3;4-7H,1-3H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7,10,14H,1-2H3,(H,12,13);3-7H,1-2H3;5-6,8H,1-4H3
• InChIKey: WBJOUMDRUDLJCE-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 341.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1736.34
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole?

The IUPAC name of 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole (CID 161457751) is 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole.

What is the SMILES notation for 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole?

The canonical SMILES for 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole is CC(C)C1=NC(c2ccncc2)NN1.CC(C)C1=NNC(C)N1C.CC(C)c1nc(-c2ccccc2)n[nH]1.CC(C)c1noc(-c2ccccc2)n1.CC(C)c1noc(-c2ccncc2)n1.Cc1ccc(-c2cnc(C(C)C)s2)cc1.Cc1ccc(-c2cnc(C(C)C)s2)cn1.Cc1ccc(-c2n[nH]c(C(C)C)n2)cc1.Cc1ccc(-c2nc(C(C)C)no2)cn1.

What is the InChIKey of 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole?

The InChIKey is WBJOUMDRUDLJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS.C12H15N3.C12H14N2S.C11H13N3O.C11H13N3.C11H12N2O.C10H14N4.C10H11N3O.C7H15N3/c1-9(2)13-14-8-12(15-13)11-6-4-10(3)5-7-11;1-8(2)11-13-12(15-14-11)10-6-4-9(3)5-7-10;1-8(2)12-14-7-11(15-12)10-5-4-9(3)13-6-10;1-7(2)10-13-11(15-14-10)9-5-4-8(3)12-6-9;2*1-8(2)10-12-11(14-13-10)9-6-4-3-5-7-9;2*1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8;1-5(2)7-9-8-6(3)10(7)4/h4-9H,1-3H3;4-8H,1-3H3,(H,13,14,15);4-8H,1-3H3;4-7H,1-3H3;3-8H,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7,10,14H,1-2H3,(H,12,13);3-7H,1-2H3;5-6,8H,1-4H3.

What are the key properties of 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole?

4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 1736.34 g/mol, XLogP of 23.14, 17 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-3-propan-2-yl-1,5-dihydro-1,2,4-triazole;5-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;5-(6-methyl-3-pyridinyl)-3-propan-2-yl-1,2,4-oxadiazole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-3-propan-2-yl-1,2,4-oxadiazole;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-(5-propan-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl)pyridine;3-propan-2-yl-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 161457751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).