1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol

C15H25N3O2 — CID 74244105

IUPAC1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol
SMILESCC(O)c1nc(C2CCOCC2)nn1C1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-11(19)15-16-14(12-7-9-20-10-8-12)17-18(15)13-5-3-2-4-6-13/h11-13,19H,2-10H2,1H3
InChIKeyITLOZZYHXXEWOX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol

1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 74244105) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol
PubChem CID74244105
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol
SMILESCC(O)c1nc(C2CCOCC2)nn1C1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-11(19)15-16-14(12-7-9-20-10-8-12)17-18(15)13-5-3-2-4-6-13/h11-13,19H,2-10H2,1H3
InChIKeyITLOZZYHXXEWOX-UHFFFAOYSA-N
XLogP2.73
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol (CID 74244105) is 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol is CC(O)c1nc(C2CCOCC2)nn1C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is ITLOZZYHXXEWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(19)15-16-14(12-7-9-20-10-8-12)17-18(15)13-5-3-2-4-6-13/h11-13,19H,2-10H2,1H3.
What are the key properties of 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol?
1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 279.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 74244105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).