[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol

C14H17N3O2 — CID 115395856

IUPAC[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(C2CCOCC2)n1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-10-13-15-16-14(11-6-8-19-9-7-11)17(13)12-4-2-1-3-5-12/h1-5,11,18H,6-10H2
InChIKeyGLIGWUYZWAAHFQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.65
Rot. Bonds3

About [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol

[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115395856) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID115395856
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(C2CCOCC2)n1-c1ccccc1
InChIInChI=1S/C14H17N3O2/c18-10-13-15-16-14(11-6-8-19-9-7-11)17(13)12-4-2-1-3-5-12/h1-5,11,18H,6-10H2
InChIKeyGLIGWUYZWAAHFQ-UHFFFAOYSA-N
XLogP1.65
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395849
[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 83152356
1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methylcarbamoyl]cyclopent-3-ene-1-carboxylic acid
CID 154871894
3-(chloromethyl)-5-(5-methyloxolan-3-yl)-4-phenyl-1,2,4-triazole
CID 114827253
2-[(5-cyclobutyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 115391713
1-cyclohexyl-3-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]urea
CID 155607964
3-cyclohexyl-4,5-diphenyl-1,2,4-triazole
CID 58240241
[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395785
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395824
N-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-2-methylbutane-1-sulfonamide
CID 138046821
3-(oxan-4-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
CID 75407878
3-cyclopentylsulfanyl-5-cyclopropyl-4-phenyl-1,2,4-triazole
CID 52724779

Frequently Asked Questions

What is the IUPAC name of [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 115395856) is [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol is OCc1nnc(C2CCOCC2)n1-c1ccccc1.
What is the InChIKey of [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is GLIGWUYZWAAHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-10-13-15-16-14(11-6-8-19-9-7-11)17(13)12-4-2-1-3-5-12/h1-5,11,18H,6-10H2.
What are the key properties of [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 259.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).