3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol

C13H23N3O2 — CID 106873873

IUPAC3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2ncnn2C(C)C)C1
InChIInChI=1S/C13H23N3O2/c1-10(2)16-12(14-9-15-16)8-13(17)6-4-5-11(7-13)18-3/h9-11,17H,4-8H2,1-3H3
InChIKeyRBVRFPMIKPORKQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.72
Rot. Bonds4

About 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol

3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol (PubChem CID 106873873) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol
PubChem CID106873873
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol
SMILESCOC1CCCC(O)(Cc2ncnn2C(C)C)C1
InChIInChI=1S/C13H23N3O2/c1-10(2)16-12(14-9-15-16)8-13(17)6-4-5-11(7-13)18-3/h9-11,17H,4-8H2,1-3H3
InChIKeyRBVRFPMIKPORKQ-UHFFFAOYSA-N
XLogP1.72
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol (CID 106873873) is 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol is COC1CCCC(O)(Cc2ncnn2C(C)C)C1.
What is the InChIKey of 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is RBVRFPMIKPORKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)16-12(14-9-15-16)8-13(17)6-4-5-11(7-13)18-3/h9-11,17H,4-8H2,1-3H3.
What are the key properties of 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol?
3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106873873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).