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

C14H17N3O — CID 83152356

IUPAC[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESCC(c1nnc(CO)n1-c1ccccc1)C1CC1
InChIInChI=1S/C14H17N3O/c1-10(11-7-8-11)14-16-15-13(9-18)17(14)12-5-3-2-4-6-12/h2-6,10-11,18H,7-9H2,1H3
InChIKeyVWZZCTAZQMYZOR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.27
Rot. Bonds4

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

[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 83152356) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID83152356
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESCC(c1nnc(CO)n1-c1ccccc1)C1CC1
InChIInChI=1S/C14H17N3O/c1-10(11-7-8-11)14-16-15-13(9-18)17(14)12-5-3-2-4-6-12/h2-6,10-11,18H,7-9H2,1H3
InChIKeyVWZZCTAZQMYZOR-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395785
[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395849
[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395856
[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395859
4-tert-butyl-3-(chloromethyl)-5-(1-cyclopropylethyl)-1,2,4-triazole
CID 83153676
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395828
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395824
(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 115396305
[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395836
3-(1-cyclopropylethyl)-8-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 83151447
[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395862
3-(bromomethyl)-4-phenyl-5-(propan-2-yloxymethyl)-1,2,4-triazole
CID 112605985

Frequently Asked Questions

What is the IUPAC name of [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 83152356) is [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is CC(c1nnc(CO)n1-c1ccccc1)C1CC1.
What is the InChIKey of [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is VWZZCTAZQMYZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(11-7-8-11)14-16-15-13(9-18)17(14)12-5-3-2-4-6-12/h2-6,10-11,18H,7-9H2,1H3.
What are the key properties of [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 243.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 83152356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).