3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane

C15H27N3 — CID 143539564

IUPAC3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane
SMILESCC.CCCCc1nnc(C2CCC2)n1C1CC1
InChIInChI=1S/C13H21N3.C2H6/c1-2-3-7-12-14-15-13(10-5-4-6-10)16(12)11-8-9-11;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyAXEHZMPVXVCDOO-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.25
Rot. Bonds5

About 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane

3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane (PubChem CID 143539564) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane
PubChem CID143539564
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane
SMILESCC.CCCCc1nnc(C2CCC2)n1C1CC1
InChIInChI=1S/C13H21N3.C2H6/c1-2-3-7-12-14-15-13(10-5-4-6-10)16(12)11-8-9-11;1-2/h10-11H,2-9H2,1H3;1-2H3
InChIKeyAXEHZMPVXVCDOO-UHFFFAOYSA-N
XLogP4.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane?
The IUPAC name of 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane (CID 143539564) is 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane.
What is the SMILES notation for 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane?
The canonical SMILES for 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane is CC.CCCCc1nnc(C2CCC2)n1C1CC1.
What is the InChIKey of 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane?
The InChIKey is AXEHZMPVXVCDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C2H6/c1-2-3-7-12-14-15-13(10-5-4-6-10)16(12)11-8-9-11;1-2/h10-11H,2-9H2,1H3;1-2H3.
What are the key properties of 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane?
3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane has a molecular weight of 249.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-cyclobutyl-4-cyclopropyl-1,2,4-triazole;ethane is sourced from PubChem (CID 143539564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).