4-ethyl-1-(2-methylpropyl)triazole

C8H15N3 — CID 89281755

IUPAC4-ethyl-1-(2-methylpropyl)triazole
SMILESCCc1cn(CC(C)C)nn1
InChIInChI=1S/C8H15N3/c1-4-8-6-11(10-9-8)5-7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyXUMZDNCUVJSFSK-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.50
Rot. Bonds3

About 4-ethyl-1-(2-methylpropyl)triazole

4-ethyl-1-(2-methylpropyl)triazole (PubChem CID 89281755) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpropyl)triazole.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpropyl)triazole
PubChem CID89281755
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-ethyl-1-(2-methylpropyl)triazole
SMILESCCc1cn(CC(C)C)nn1
InChIInChI=1S/C8H15N3/c1-4-8-6-11(10-9-8)5-7(2)3/h6-7H,4-5H2,1-3H3
InChIKeyXUMZDNCUVJSFSK-UHFFFAOYSA-N
XLogP1.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpropyl)triazole?
The IUPAC name of 4-ethyl-1-(2-methylpropyl)triazole (CID 89281755) is 4-ethyl-1-(2-methylpropyl)triazole.
What is the SMILES notation for 4-ethyl-1-(2-methylpropyl)triazole?
The canonical SMILES for 4-ethyl-1-(2-methylpropyl)triazole is CCc1cn(CC(C)C)nn1.
What is the InChIKey of 4-ethyl-1-(2-methylpropyl)triazole?
The InChIKey is XUMZDNCUVJSFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-4-8-6-11(10-9-8)5-7(2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-1-(2-methylpropyl)triazole?
4-ethyl-1-(2-methylpropyl)triazole has a molecular weight of 153.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpropyl)triazole is sourced from PubChem (CID 89281755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).