4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane

C10H17N3 — CID 145406355

IUPAC4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane
SMILESC1=CCC(n2cnnc2)CC1.CC
InChIInChI=1S/C8H11N3.C2H6/c1-2-4-8(5-3-1)11-6-9-10-7-11;1-2/h1-2,6-8H,3-5H2;1-2H3
InChIKeyGOTFIFWOIQWORJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.59
Rot. Bonds1

About 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane

4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane (PubChem CID 145406355) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane
PubChem CID145406355
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane
SMILESC1=CCC(n2cnnc2)CC1.CC
InChIInChI=1S/C8H11N3.C2H6/c1-2-4-8(5-3-1)11-6-9-10-7-11;1-2/h1-2,6-8H,3-5H2;1-2H3
InChIKeyGOTFIFWOIQWORJ-UHFFFAOYSA-N
XLogP2.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane?
The IUPAC name of 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane (CID 145406355) is 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane.
What is the SMILES notation for 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane?
The canonical SMILES for 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane is C1=CCC(n2cnnc2)CC1.CC.
What is the InChIKey of 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane?
The InChIKey is GOTFIFWOIQWORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-2-4-8(5-3-1)11-6-9-10-7-11;1-2/h1-2,6-8H,3-5H2;1-2H3.
What are the key properties of 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane?
4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane has a molecular weight of 179.27 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yl-1,2,4-triazole;ethane is sourced from PubChem (CID 145406355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).