1-(2-phenyltriazol-4-yl)nonan-1-ol

C17H25N3O — CID 105085805

IUPAC1-(2-phenyltriazol-4-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H25N3O/c1-2-3-4-5-6-10-13-17(21)16-14-18-20(19-16)15-11-8-7-9-12-15/h7-9,11-12,14,17,21H,2-6,10,13H2,1H3
InChIKeyWLVIEAILVYKKBQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.05
Rot. Bonds9

About 1-(2-phenyltriazol-4-yl)nonan-1-ol

1-(2-phenyltriazol-4-yl)nonan-1-ol (PubChem CID 105085805) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(2-phenyltriazol-4-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(2-phenyltriazol-4-yl)nonan-1-ol
PubChem CID105085805
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(2-phenyltriazol-4-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C17H25N3O/c1-2-3-4-5-6-10-13-17(21)16-14-18-20(19-16)15-11-8-7-9-12-15/h7-9,11-12,14,17,21H,2-6,10,13H2,1H3
InChIKeyWLVIEAILVYKKBQ-UHFFFAOYSA-N
XLogP4.05
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
4-(Butoxymethyl)-2-phenyltriazole
CID 145973177
(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
1-[2-(2-Fluorophenyl)-2H-1,2,3-triazol-4-yl]-1,2,3,4-butanetetrol
CID 606076
[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
1,2,3,4-Butanetetrol, 1-[2-(2-fluorophenyl)-2H-1,2,3-triazol-4-yl]-, [1R-(1R*,2S*,3R*)]-
CID 186649
2-(4-Fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol
CID 105077058

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyltriazol-4-yl)nonan-1-ol?
The IUPAC name of 1-(2-phenyltriazol-4-yl)nonan-1-ol (CID 105085805) is 1-(2-phenyltriazol-4-yl)nonan-1-ol.
What is the SMILES notation for 1-(2-phenyltriazol-4-yl)nonan-1-ol?
The canonical SMILES for 1-(2-phenyltriazol-4-yl)nonan-1-ol is CCCCCCCCC(O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-(2-phenyltriazol-4-yl)nonan-1-ol?
The InChIKey is WLVIEAILVYKKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-3-4-5-6-10-13-17(21)16-14-18-20(19-16)15-11-8-7-9-12-15/h7-9,11-12,14,17,21H,2-6,10,13H2,1H3.
What are the key properties of 1-(2-phenyltriazol-4-yl)nonan-1-ol?
1-(2-phenyltriazol-4-yl)nonan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyltriazol-4-yl)nonan-1-ol is sourced from PubChem (CID 105085805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).