4-(1,2,4-triazol-4-yl)cyclohexan-1-ol

C8H13N3O — CID 62268799

IUPAC4-(1,2,4-triazol-4-yl)cyclohexan-1-ol
SMILESOC1CCC(n2cnnc2)CC1
InChIInChI=1S/C8H13N3O/c12-8-3-1-7(2-4-8)11-5-9-10-6-11/h5-8,12H,1-4H2
InChIKeyBUAXGEHTAWVCJF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.75
Rot. Bonds1

About 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol

4-(1,2,4-triazol-4-yl)cyclohexan-1-ol (PubChem CID 62268799) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,2,4-triazol-4-yl)cyclohexan-1-ol
PubChem CID62268799
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(1,2,4-triazol-4-yl)cyclohexan-1-ol
SMILESOC1CCC(n2cnnc2)CC1
InChIInChI=1S/C8H13N3O/c12-8-3-1-7(2-4-8)11-5-9-10-6-11/h5-8,12H,1-4H2
InChIKeyBUAXGEHTAWVCJF-UHFFFAOYSA-N
XLogP0.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol (CID 62268799) is 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol is OC1CCC(n2cnnc2)CC1.
What is the InChIKey of 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol?
The InChIKey is BUAXGEHTAWVCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8-3-1-7(2-4-8)11-5-9-10-6-11/h5-8,12H,1-4H2.
What are the key properties of 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol?
4-(1,2,4-triazol-4-yl)cyclohexan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-triazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 62268799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).