1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole

C77H131N23O2S2 — CID 158955949

About 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole

1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole (PubChem CID 158955949) has the molecular formula C77H131N23O2S2 and a molecular weight of 1475.19 g/mol. Its IUPAC name is 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole.

Molecular Properties

• Compound Name: 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole
• PubChem CID: 158955949
• Molecular Formula: C77H131N23O2S2
• Molecular Weight: 1475.19 g/mol
• Exact Mass: 1474.03
• IUPAC Name: 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole
• SMILES: C.C=C1NN=C(C(C)C)O1.C=C1NN=C(C(C)C)S1.CC(C)N1CCN(C)CC1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N)nc1.CC(C)c1cn[nH]n1.CC(C)c1ncc(N)cn1.CC(C)c1ncccn1.Cc1cc(C(C)C)nn1C.Cc1nc(C(C)C)cs1.Cc1nnc(C(C)C)o1
• InChI: InChI=1S/C8H18N2.C8H14N2.2C8H12N2.C7H11N3.C7H10N2.C7H11NS.2C6H10N2O.C6H10N2S.C5H9N3.CH4/c1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-9-6(3)8-7;3*1-4(2)6-8-7-5(3)9-6;1-4(2)5-3-6-8-7-5;/h8H,4-7H2,1-3H3;5-6H,1-4H3;3-6H,9H2,1-2H3;3-6H,1-2H3,(H2,9,10);3-5H,8H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3;4H,1-3H3;2*4,7H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4
• InChIKey: JLZVLZBQLJMYLE-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 331.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1475.19
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole?

The IUPAC name of 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole (CID 158955949) is 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole.

What is the SMILES notation for 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole?

The canonical SMILES for 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole is C.C=C1NN=C(C(C)C)O1.C=C1NN=C(C(C)C)S1.CC(C)N1CCN(C)CC1.CC(C)c1ccc(N)cn1.CC(C)c1ccc(N)nc1.CC(C)c1cn[nH]n1.CC(C)c1ncc(N)cn1.CC(C)c1ncccn1.Cc1cc(C(C)C)nn1C.Cc1nc(C(C)C)cs1.Cc1nnc(C(C)C)o1.

What is the InChIKey of 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole?

The InChIKey is JLZVLZBQLJMYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H14N2.2C8H12N2.C7H11N3.C7H10N2.C7H11NS.2C6H10N2O.C6H10N2S.C5H9N3.CH4/c1-8(2)10-6-4-9(3)5-7-10;1-6(2)8-5-7(3)10(4)9-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)7-3-4-8(9)10-5-7;1-5(2)7-9-3-6(8)4-10-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-9-6(3)8-7;3*1-4(2)6-8-7-5(3)9-6;1-4(2)5-3-6-8-7-5;/h8H,4-7H2,1-3H3;5-6H,1-4H3;3-6H,9H2,1-2H3;3-6H,1-2H3,(H2,9,10);3-5H,8H2,1-2H3;3-6H,1-2H3;4-5H,1-3H3;4H,1-3H3;2*4,7H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);1H4.

What are the key properties of 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole?

1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole has a molecular weight of 1475.19 g/mol, XLogP of 17.30, 11 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-3-propan-2-ylpyrazole;methane;2-methylidene-5-propan-2-yl-3H-1,3,4-oxadiazole;2-methylidene-5-propan-2-yl-3H-1,3,4-thiadiazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-4-propan-2-ylpiperazine;2-methyl-4-propan-2-yl-1,3-thiazole;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-3-amine;2-propan-2-ylpyrimidin-5-amine;2-propan-2-ylpyrimidine;4-propan-2-yl-2H-triazole is sourced from PubChem (CID 158955949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).