4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol

C15H21N3O — CID 105091547

IUPAC4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
SMILESCC(C)(C)CCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H21N3O/c1-15(2,3)10-9-14(19)13-11-16-18(17-13)12-7-5-4-6-8-12/h4-8,11,14,19H,9-10H2,1-3H3
InChIKeyIGDYGZZWMDLZHL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.13
Rot. Bonds4

About 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol

4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol (PubChem CID 105091547) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
PubChem CID105091547
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
SMILESCC(C)(C)CCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H21N3O/c1-15(2,3)10-9-14(19)13-11-16-18(17-13)12-7-5-4-6-8-12/h4-8,11,14,19H,9-10H2,1-3H3
InChIKeyIGDYGZZWMDLZHL-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-2H-1,2,3-triazol-4-yl)methanol
CID 707096
(1R)-1-(2-phenyl-2H-1,2,3-triazol-4-yl)ethan-1-ol
CID 145915711
(2-(4-Fluorophenyl)-2h-1,2,3-triazole-4-yl)methanol
CID 44819389
2-(2-benzyl-2H-1,2,3-triazol-4-yl)propan-2-ol
CID 45035819
[2-(2,5-Difluorophenyl)triazol-4-yl]methanol
CID 156370637
[2-[4-(Trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 44819388
2-(4-Fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105077058
(4-Fluorophenyl)-(2-phenyltriazol-4-yl)methanol
CID 105077288
2-(2-Fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105077751
(3-Fluorophenyl)-(2-phenyltriazol-4-yl)methanol
CID 105078389
2-(3-Fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105079065
(2-Fluorophenyl)-(2-phenyltriazol-4-yl)methanol
CID 105083941

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol (CID 105091547) is 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol is CC(C)(C)CCC(O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The InChIKey is IGDYGZZWMDLZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)10-9-14(19)13-11-16-18(17-13)12-7-5-4-6-8-12/h4-8,11,14,19H,9-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol?
4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol is sourced from PubChem (CID 105091547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).