4-(3-phenyltriazol-4-yl)azepan-4-ol

C14H18N4O — CID 114685429

IUPAC4-(3-phenyltriazol-4-yl)azepan-4-ol
SMILESOC1(c2cnnn2-c2ccccc2)CCCNCC1
InChIInChI=1S/C14H18N4O/c19-14(7-4-9-15-10-8-14)13-11-16-17-18(13)12-5-2-1-3-6-12/h1-3,5-6,11,15,19H,4,7-10H2
InChIKeyZMWFWLZYSUJVQE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.23
Rot. Bonds2

About 4-(3-phenyltriazol-4-yl)azepan-4-ol

4-(3-phenyltriazol-4-yl)azepan-4-ol (PubChem CID 114685429) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(3-phenyltriazol-4-yl)azepan-4-ol.

Molecular Properties

Compound Name4-(3-phenyltriazol-4-yl)azepan-4-ol
PubChem CID114685429
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(3-phenyltriazol-4-yl)azepan-4-ol
SMILESOC1(c2cnnn2-c2ccccc2)CCCNCC1
InChIInChI=1S/C14H18N4O/c19-14(7-4-9-15-10-8-14)13-11-16-17-18(13)12-5-2-1-3-6-12/h1-3,5-6,11,15,19H,4,7-10H2
InChIKeyZMWFWLZYSUJVQE-UHFFFAOYSA-N
XLogP1.23
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenyltriazol-4-yl)cycloheptan-1-ol
CID 114684542
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
4-(4-phenylphenyl)azepan-4-ol
CID 103982949
1-(3-phenyltriazol-4-yl)piperazine
CID 59511215
4-(1-methylpyrazol-4-yl)azepan-4-ol
CID 126973104
4-(3-phenyltriazol-4-yl)piperidine
CID 84692024
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939
(1-aminocyclopentyl)-(3-phenyltriazol-4-yl)methanone
CID 114691891

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyltriazol-4-yl)azepan-4-ol?
The IUPAC name of 4-(3-phenyltriazol-4-yl)azepan-4-ol (CID 114685429) is 4-(3-phenyltriazol-4-yl)azepan-4-ol.
What is the SMILES notation for 4-(3-phenyltriazol-4-yl)azepan-4-ol?
The canonical SMILES for 4-(3-phenyltriazol-4-yl)azepan-4-ol is OC1(c2cnnn2-c2ccccc2)CCCNCC1.
What is the InChIKey of 4-(3-phenyltriazol-4-yl)azepan-4-ol?
The InChIKey is ZMWFWLZYSUJVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(7-4-9-15-10-8-14)13-11-16-17-18(13)12-5-2-1-3-6-12/h1-3,5-6,11,15,19H,4,7-10H2.
What are the key properties of 4-(3-phenyltriazol-4-yl)azepan-4-ol?
4-(3-phenyltriazol-4-yl)azepan-4-ol has a molecular weight of 258.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyltriazol-4-yl)azepan-4-ol is sourced from PubChem (CID 114685429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).