(1-benzyl-5-iodotriazol-4-yl)methanol

C10H10IN3O — CID 132562137

IUPAC(1-benzyl-5-iodotriazol-4-yl)methanol
SMILESOCc1nnn(Cc2ccccc2)c1I
InChIInChI=1S/C10H10IN3O/c11-10-9(7-15)12-13-14(10)6-8-4-2-1-3-5-8/h1-5,15H,6-7H2
InChIKeyYPOVZYRHSUJDLG-UHFFFAOYSA-N
MW315.11 g/mol
LogP1.42
Rot. Bonds3

About (1-benzyl-5-iodotriazol-4-yl)methanol

(1-benzyl-5-iodotriazol-4-yl)methanol (PubChem CID 132562137) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is (1-benzyl-5-iodotriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-5-iodotriazol-4-yl)methanol
PubChem CID132562137
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name(1-benzyl-5-iodotriazol-4-yl)methanol
SMILESOCc1nnn(Cc2ccccc2)c1I
InChIInChI=1S/C10H10IN3O/c11-10-9(7-15)12-13-14(10)6-8-4-2-1-3-5-8/h1-5,15H,6-7H2
InChIKeyYPOVZYRHSUJDLG-UHFFFAOYSA-N
XLogP1.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-iodotriazol-4-yl)methanol?
The IUPAC name of (1-benzyl-5-iodotriazol-4-yl)methanol (CID 132562137) is (1-benzyl-5-iodotriazol-4-yl)methanol.
What is the SMILES notation for (1-benzyl-5-iodotriazol-4-yl)methanol?
The canonical SMILES for (1-benzyl-5-iodotriazol-4-yl)methanol is OCc1nnn(Cc2ccccc2)c1I.
What is the InChIKey of (1-benzyl-5-iodotriazol-4-yl)methanol?
The InChIKey is YPOVZYRHSUJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c11-10-9(7-15)12-13-14(10)6-8-4-2-1-3-5-8/h1-5,15H,6-7H2.
What are the key properties of (1-benzyl-5-iodotriazol-4-yl)methanol?
(1-benzyl-5-iodotriazol-4-yl)methanol has a molecular weight of 315.11 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-iodotriazol-4-yl)methanol is sourced from PubChem (CID 132562137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).