1-(3-phenyltriazol-4-yl)cycloheptan-1-ol

C15H19N3O — CID 114684542

IUPAC1-(3-phenyltriazol-4-yl)cycloheptan-1-ol
SMILESOC1(c2cnnn2-c2ccccc2)CCCCCC1
InChIInChI=1S/C15H19N3O/c19-15(10-6-1-2-7-11-15)14-12-16-17-18(14)13-8-4-3-5-9-13/h3-5,8-9,12,19H,1-2,6-7,10-11H2
InChIKeyGHBLFPRUWQWQEQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.81
Rot. Bonds2

About 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol

1-(3-phenyltriazol-4-yl)cycloheptan-1-ol (PubChem CID 114684542) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(3-phenyltriazol-4-yl)cycloheptan-1-ol
PubChem CID114684542
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-phenyltriazol-4-yl)cycloheptan-1-ol
SMILESOC1(c2cnnn2-c2ccccc2)CCCCCC1
InChIInChI=1S/C15H19N3O/c19-15(10-6-1-2-7-11-15)14-12-16-17-18(14)13-8-4-3-5-9-13/h3-5,8-9,12,19H,1-2,6-7,10-11H2
InChIKeyGHBLFPRUWQWQEQ-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-phenyltriazol-4-yl)azepan-4-ol
CID 114685429
3,3-dimethyl-1-(3-phenyltriazol-4-yl)cyclopentan-1-ol
CID 114685264
7-(3-phenyltriazol-4-yl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 114685294
1,5-dimethyl-3-(3-phenyltriazol-4-yl)pyrrolidin-3-ol
CID 114685283
2-cyclopropyl-2-(3-phenyltriazol-4-yl)azepane
CID 114688475
1-(2-phenylpyrazol-3-yl)cyclobutan-1-ol
CID 107329942
(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone
CID 114691891
[(1-methylcyclohexyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 106831373
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939
1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114688379
(1-aminocyclopropyl)-(3-phenyltriazol-4-yl)methanone
CID 114692058
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol?
The IUPAC name of 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol (CID 114684542) is 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol.
What is the SMILES notation for 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol?
The canonical SMILES for 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol is OC1(c2cnnn2-c2ccccc2)CCCCCC1.
What is the InChIKey of 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol?
The InChIKey is GHBLFPRUWQWQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(10-6-1-2-7-11-15)14-12-16-17-18(14)13-8-4-3-5-9-13/h3-5,8-9,12,19H,1-2,6-7,10-11H2.
What are the key properties of 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol?
1-(3-phenyltriazol-4-yl)cycloheptan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyltriazol-4-yl)cycloheptan-1-ol is sourced from PubChem (CID 114684542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).