2-(4-methyltriazol-1-yl)cyclopentan-1-ol

C8H13N3O — CID 77393104

IUPAC2-(4-methyltriazol-1-yl)cyclopentan-1-ol
SMILESCc1cn(C2CCCC2O)nn1
InChIInChI=1S/C8H13N3O/c1-6-5-11(10-9-6)7-3-2-4-8(7)12/h5,7-8,12H,2-4H2,1H3
InChIKeyAFFGEPDQYYKJMM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.67
Rot. Bonds1

About 2-(4-methyltriazol-1-yl)cyclopentan-1-ol

2-(4-methyltriazol-1-yl)cyclopentan-1-ol (PubChem CID 77393104) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(4-methyltriazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-methyltriazol-1-yl)cyclopentan-1-ol
PubChem CID77393104
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(4-methyltriazol-1-yl)cyclopentan-1-ol
SMILESCc1cn(C2CCCC2O)nn1
InChIInChI=1S/C8H13N3O/c1-6-5-11(10-9-6)7-3-2-4-8(7)12/h5,7-8,12H,2-4H2,1H3
InChIKeyAFFGEPDQYYKJMM-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminoethyl)triazol-1-yl]cyclopentan-1-ol
CID 114419711
4-methyl-1-(2-methylcyclopropyl)triazole
CID 170086672
trans-(1S,2S)-2-[4-(4-methylphenyl)triazol-1-yl]cyclohexan-1-ol
CID 24970946
trans-(1R,2R)-2-[4-[(4,5-dimethylimidazol-1-yl)methyl]triazol-1-yl]cyclopentan-1-ol
CID 166314667
trans-(1R,2R)-2-(4-butyltriazol-1-yl)cyclohexan-1-ol
CID 101445678
2-[4-(2-aminoethyl)triazol-1-yl]cycloheptan-1-ol
CID 116642075
trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 15853903
2-[4-(3-hydroxypropyl)triazol-1-yl]cycloheptan-1-ol
CID 113374500
2-[1-(2-hydroxycycloheptyl)triazol-4-yl]acetic acid
CID 107461685
1,4-dimethyltriazole;methylcyclobutane
CID 143598410
3-[1-(2-hydroxycyclohexyl)triazol-4-yl]propanoic acid
CID 107460597
trans-(1R,2R)-2-[4-[[cyclohexylmethyl(methyl)amino]methyl]triazol-1-yl]cyclohexan-1-ol
CID 46861982

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyltriazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-(4-methyltriazol-1-yl)cyclopentan-1-ol (CID 77393104) is 2-(4-methyltriazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-methyltriazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(4-methyltriazol-1-yl)cyclopentan-1-ol is Cc1cn(C2CCCC2O)nn1.
What is the InChIKey of 2-(4-methyltriazol-1-yl)cyclopentan-1-ol?
The InChIKey is AFFGEPDQYYKJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-5-11(10-9-6)7-3-2-4-8(7)12/h5,7-8,12H,2-4H2,1H3.
What are the key properties of 2-(4-methyltriazol-1-yl)cyclopentan-1-ol?
2-(4-methyltriazol-1-yl)cyclopentan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyltriazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 77393104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).