1-(1-benzyltriazol-4-yl)cyclohexan-1-ol

C15H19N3O — CID 651657

IUPAC1-(1-benzyltriazol-4-yl)cyclohexan-1-ol
SMILESOC1(c2cn(Cc3ccccc3)nn2)CCCCC1
InChIInChI=1S/C15H19N3O/c19-15(9-5-2-6-10-15)14-12-18(17-16-14)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,19H,2,5-6,9-11H2
InChIKeySPONSQCCSGXLFS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.48
Rot. Bonds3

About 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol

1-(1-benzyltriazol-4-yl)cyclohexan-1-ol (PubChem CID 651657) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-benzyltriazol-4-yl)cyclohexan-1-ol
PubChem CID651657
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1-benzyltriazol-4-yl)cyclohexan-1-ol
SMILESOC1(c2cn(Cc3ccccc3)nn2)CCCCC1
InChIInChI=1S/C15H19N3O/c19-15(9-5-2-6-10-15)14-12-18(17-16-14)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,19H,2,5-6,9-11H2
InChIKeySPONSQCCSGXLFS-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol (CID 651657) is 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol is OC1(c2cn(Cc3ccccc3)nn2)CCCCC1.
What is the InChIKey of 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol?
The InChIKey is SPONSQCCSGXLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(9-5-2-6-10-15)14-12-18(17-16-14)11-13-7-3-1-4-8-13/h1,3-4,7-8,12,19H,2,5-6,9-11H2.
What are the key properties of 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol?
1-(1-benzyltriazol-4-yl)cyclohexan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyltriazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 651657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).