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

C14H23N3O — CID 72927273

IUPAC1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole
SMILESCc1nc(C2CCCCO2)n(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-15-14(13-9-5-6-10-18-13)17(16-11)12-7-3-2-4-8-12/h12-13H,2-10H2,1H3
InChIKeyBZLCXJCVYNRRFG-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.33
Rot. Bonds2

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

1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole (PubChem CID 72927273) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole
PubChem CID72927273
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole
SMILESCc1nc(C2CCCCO2)n(C2CCCCC2)n1
InChIInChI=1S/C14H23N3O/c1-11-15-14(13-9-5-6-10-18-13)17(16-11)12-7-3-2-4-8-12/h12-13H,2-10H2,1H3
InChIKeyBZLCXJCVYNRRFG-UHFFFAOYSA-N
XLogP3.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole (CID 72927273) is 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole is Cc1nc(C2CCCCO2)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole?
The InChIKey is BZLCXJCVYNRRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-15-14(13-9-5-6-10-18-13)17(16-11)12-7-3-2-4-8-12/h12-13H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole?
1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole has a molecular weight of 249.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-5-(oxan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 72927273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).