1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol

C14H16ClN3O — CID 90643458

IUPAC1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(-c3cccc(Cl)c3)nn2)CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-11-5-4-6-12(9-11)18-10-13(16-17-18)14(19)7-2-1-3-8-14/h4-6,9-10,19H,1-3,7-8H2
InChIKeyRNHIYDQGCRFYBM-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.07
Rot. Bonds2

About 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol

1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol (PubChem CID 90643458) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol
PubChem CID90643458
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(-c3cccc(Cl)c3)nn2)CCCCC1
InChIInChI=1S/C14H16ClN3O/c15-11-5-4-6-12(9-11)18-10-13(16-17-18)14(19)7-2-1-3-8-14/h4-6,9-10,19H,1-3,7-8H2
InChIKeyRNHIYDQGCRFYBM-UHFFFAOYSA-N
XLogP3.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol (CID 90643458) is 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol is OC1(c2cn(-c3cccc(Cl)c3)nn2)CCCCC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol?
The InChIKey is RNHIYDQGCRFYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-5-4-6-12(9-11)18-10-13(16-17-18)14(19)7-2-1-3-8-14/h4-6,9-10,19H,1-3,7-8H2.
What are the key properties of 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol?
1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol has a molecular weight of 277.75 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)triazol-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 90643458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).