2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol

C14H19N3O — CID 114013665

IUPAC2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
SMILESCCCC(C)C(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-3-7-11(2)14(18)13-10-15-17(16-13)12-8-5-4-6-9-12/h4-6,8-11,14,18H,3,7H2,1-2H3
InChIKeyXOLWXUHFAALWKO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.74
Rot. Bonds5

About 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol

2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol (PubChem CID 114013665) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
PubChem CID114013665
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
SMILESCCCC(C)C(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H19N3O/c1-3-7-11(2)14(18)13-10-15-17(16-13)12-8-5-4-6-9-12/h4-6,8-11,14,18H,3,7H2,1-2H3
InChIKeyXOLWXUHFAALWKO-UHFFFAOYSA-N
XLogP2.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.74
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
1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3,4-tetrol
CID 228106
(1R,2S,3R)-4-amino-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol
CID 7129404
(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
4-amino-1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3-triol
CID 4962670
2-(2-benzyl-2H-1,2,3-triazol-4-yl)propan-2-ol
CID 45035819
2-(2-Benzyl-2H-[1,2,3]triazol-4-yl)-1,1,1-trifluoro-butan-2-ol
CID 67036545
1-[2-[4-(Trifluoromethyl)phenyl]triazol-4-yl]ethane-1,1-diol
CID 156370636
[2-(2,5-Difluorophenyl)triazol-4-yl]methanol
CID 156370637
(1R,2S,3R)-1-(2-phenyltriazol-4-yl)butane-1,2,3,4-tetrol
CID 7106948
trans-(1S,2S)-2-(4-phenyltriazol-2-yl)cyclohexan-1-ol
CID 134861936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The IUPAC name of 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol (CID 114013665) is 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol.
What is the SMILES notation for 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The canonical SMILES for 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol is CCCC(C)C(O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol?
The InChIKey is XOLWXUHFAALWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-7-11(2)14(18)13-10-15-17(16-13)12-8-5-4-6-9-12/h4-6,8-11,14,18H,3,7H2,1-2H3.
What are the key properties of 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol?
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol is sourced from PubChem (CID 114013665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).