3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol

C10H17N3O2 — CID 106874064

IUPAC3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(c2cnnn2C)C1
InChIInChI=1S/C10H17N3O2/c1-13-9(7-11-12-13)10(14)5-3-4-8(6-10)15-2/h7-8,14H,3-6H2,1-2H3
InChIKeyMHCYMFWFGGYEHU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.59
Rot. Bonds2

About 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol

3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol (PubChem CID 106874064) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
PubChem CID106874064
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
SMILESCOC1CCCC(O)(c2cnnn2C)C1
InChIInChI=1S/C10H17N3O2/c1-13-9(7-11-12-13)10(14)5-3-4-8(6-10)15-2/h7-8,14H,3-6H2,1-2H3
InChIKeyMHCYMFWFGGYEHU-UHFFFAOYSA-N
XLogP0.59
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol (CID 106874064) is 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol is COC1CCCC(O)(c2cnnn2C)C1.
What is the InChIKey of 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
The InChIKey is MHCYMFWFGGYEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-9(7-11-12-13)10(14)5-3-4-8(6-10)15-2/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol?
3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 106874064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).