1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole

C15H22N6O — CID 74249526

IUPAC1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
SMILESc1n[nH]c(-c2nc(C3CCOCC3)nn2C2CCCCC2)n1
InChIInChI=1S/C15H22N6O/c1-2-4-12(5-3-1)21-15(14-16-10-17-19-14)18-13(20-21)11-6-8-22-9-7-11/h10-12H,1-9H2,(H,16,17,19)
InChIKeyNFKJSIACOHUOAA-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.46
Rot. Bonds3

About 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole

1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole (PubChem CID 74249526) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
PubChem CID74249526
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
SMILESc1n[nH]c(-c2nc(C3CCOCC3)nn2C2CCCCC2)n1
InChIInChI=1S/C15H22N6O/c1-2-4-12(5-3-1)21-15(14-16-10-17-19-14)18-13(20-21)11-6-8-22-9-7-11/h10-12H,1-9H2,(H,16,17,19)
InChIKeyNFKJSIACOHUOAA-UHFFFAOYSA-N
XLogP2.46
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole (CID 74249526) is 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole is c1n[nH]c(-c2nc(C3CCOCC3)nn2C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole?
The InChIKey is NFKJSIACOHUOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-2-4-12(5-3-1)21-15(14-16-10-17-19-14)18-13(20-21)11-6-8-22-9-7-11/h10-12H,1-9H2,(H,16,17,19).
What are the key properties of 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole?
1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole has a molecular weight of 302.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole is sourced from PubChem (CID 74249526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).