5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole

C15H23N3 — CID 131941557

IUPAC5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
SMILESC1CCC(n2nc(C3CC3)nc2C2CCC2)CC1
InChIInChI=1S/C15H23N3/c1-2-7-13(8-3-1)18-15(12-5-4-6-12)16-14(17-18)11-9-10-11/h11-13H,1-10H2
InChIKeyQNSJOLSJKAWYFI-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.93
Rot. Bonds3

About 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole

5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole (PubChem CID 131941557) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
PubChem CID131941557
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole
SMILESC1CCC(n2nc(C3CC3)nc2C2CCC2)CC1
InChIInChI=1S/C15H23N3/c1-2-7-13(8-3-1)18-15(12-5-4-6-12)16-14(17-18)11-9-10-11/h11-13H,1-10H2
InChIKeyQNSJOLSJKAWYFI-UHFFFAOYSA-N
XLogP3.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole?
The IUPAC name of 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole (CID 131941557) is 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole.
What is the SMILES notation for 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole?
The canonical SMILES for 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole is C1CCC(n2nc(C3CC3)nc2C2CCC2)CC1.
What is the InChIKey of 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole?
The InChIKey is QNSJOLSJKAWYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-7-13(8-3-1)18-15(12-5-4-6-12)16-14(17-18)11-9-10-11/h11-13H,1-10H2.
What are the key properties of 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole?
5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole has a molecular weight of 245.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1,2,4-triazole is sourced from PubChem (CID 131941557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).