ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

C53H109N17 — CID 158087600

IUPACethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1nccn1
InChIInChI=1S/C7H11N.2C6H10N2.4C5H9N3.7C2H6/c1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;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;7*1-2/h3-7H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3
InChIKeyFNRWMRZXFOHECE-UHFFFAOYSA-N
MW984.57 g/mol
LogP15.62
Rot. Bonds7

About ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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 158087600) has the molecular formula C53H109N17 and a molecular weight of 984.57 g/mol. Its IUPAC name is ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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 Nameethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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 CID158087600
Molecular FormulaC53H109N17
Molecular Weight984.57 g/mol
Exact Mass983.91
IUPAC Nameethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1nccn1
InChIInChI=1S/C7H11N.2C6H10N2.4C5H9N3.7C2H6/c1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;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;7*1-2/h3-7H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3
InChIKeyFNRWMRZXFOHECE-UHFFFAOYSA-N
XLogP15.62
TPSA163.41 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500984.57
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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 158087600) is ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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 CC.CC.CC.CC.CC.CC.CC.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cnnc1.CC(C)n1nccn1.
What is the InChIKey of ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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 FNRWMRZXFOHECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.2C6H10N2.4C5H9N3.7C2H6/c1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;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;7*1-2/h3-7H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3;7*1-2H3.
What are the key properties of ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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 984.57 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;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 158087600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).