4-ethyl-5-pyrrolidin-2-yl-2H-triazole

C8H14N4 — CID 84765118

IUPAC4-ethyl-5-pyrrolidin-2-yl-2H-triazole
SMILESCCc1n[nH]nc1C1CCCN1
InChIInChI=1S/C8H14N4/c1-2-6-8(11-12-10-6)7-4-3-5-9-7/h7,9H,2-5H2,1H3,(H,10,11,12)
InChIKeyXYNLAXSKOMZCBP-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.79
Rot. Bonds2

About 4-ethyl-5-pyrrolidin-2-yl-2H-triazole

4-ethyl-5-pyrrolidin-2-yl-2H-triazole (PubChem CID 84765118) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 4-ethyl-5-pyrrolidin-2-yl-2H-triazole.

Molecular Properties

Compound Name4-ethyl-5-pyrrolidin-2-yl-2H-triazole
PubChem CID84765118
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name4-ethyl-5-pyrrolidin-2-yl-2H-triazole
SMILESCCc1n[nH]nc1C1CCCN1
InChIInChI=1S/C8H14N4/c1-2-6-8(11-12-10-6)7-4-3-5-9-7/h7,9H,2-5H2,1H3,(H,10,11,12)
InChIKeyXYNLAXSKOMZCBP-UHFFFAOYSA-N
XLogP0.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-pyrrolidin-2-yl-2H-triazole?
The IUPAC name of 4-ethyl-5-pyrrolidin-2-yl-2H-triazole (CID 84765118) is 4-ethyl-5-pyrrolidin-2-yl-2H-triazole.
What is the SMILES notation for 4-ethyl-5-pyrrolidin-2-yl-2H-triazole?
The canonical SMILES for 4-ethyl-5-pyrrolidin-2-yl-2H-triazole is CCc1n[nH]nc1C1CCCN1.
What is the InChIKey of 4-ethyl-5-pyrrolidin-2-yl-2H-triazole?
The InChIKey is XYNLAXSKOMZCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-6-8(11-12-10-6)7-4-3-5-9-7/h7,9H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 4-ethyl-5-pyrrolidin-2-yl-2H-triazole?
4-ethyl-5-pyrrolidin-2-yl-2H-triazole has a molecular weight of 166.23 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-pyrrolidin-2-yl-2H-triazole is sourced from PubChem (CID 84765118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).