ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

C87H206N30 — CID 159753257

About ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (PubChem CID 159753257) has the molecular formula C87H206N30 and a molecular weight of 1672.81 g/mol. Its IUPAC name is ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
• PubChem CID: 159753257
• Molecular Formula: C87H206N30
• Molecular Weight: 1672.81 g/mol
• Exact Mass: 1671.70
• IUPAC Name: ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
• SMILES: C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cn(C)nn1.CC(C)c1cnn(C)n1.CC(C)c1cnnn1C.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1nncn1C.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1nccn1
• InChI: InChI=1S/6C6H11N3.4C5H9N3.10C2H6.11CH4/c1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-4-8-9(6)3;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-8-9(6)3;1-5(2)6-4-7-9(3)8-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;10*1-2;;;;;;;;;;;/h6*4-5H,1-3H3;4*3-5H,1-2H3;10*1-2H3;11*1H4
• InChIKey: NDXRKWDMHOASDH-UHFFFAOYSA-N
• XLogP: 26.33
• TPSA: 307.10 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1672.81
LogP ≤ 5	26.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The IUPAC name of ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (CID 159753257) is ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The canonical SMILES for ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cn(C)nn1.CC(C)c1cnn(C)n1.CC(C)c1cnnn1C.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1nncn1C.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1nccn1.

What is the InChIKey of ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

The InChIKey is NDXRKWDMHOASDH-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H11N3.4C5H9N3.10C2H6.11CH4/c1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-4-8-9(6)3;1-5(2)6-4-9(3)8-7-6;1-5(2)6-4-7-8-9(6)3;1-5(2)6-4-7-9(3)8-6;1-5(2)8-3-6-7-4-8;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;10*1-2;;;;;;;;;;;/h6*4-5H,1-3H3;4*3-5H,1-2H3;10*1-2H3;11*1H4.

What are the key properties of ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?

ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole has a molecular weight of 1672.81 g/mol, XLogP of 26.33, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 159753257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).