(3-benzyltriazol-4-yl)methanol

C10H11N3O — CID 12654356

IUPAC(3-benzyltriazol-4-yl)methanol
SMILESOCc1cnnn1Cc1ccccc1
InChIInChI=1S/C10H11N3O/c14-8-10-6-11-12-13(10)7-9-4-2-1-3-5-9/h1-6,14H,7-8H2
InChIKeyJSYMAOLKRXCWTI-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.82
Rot. Bonds3

About (3-benzyltriazol-4-yl)methanol

(3-benzyltriazol-4-yl)methanol (PubChem CID 12654356) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (3-benzyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-benzyltriazol-4-yl)methanol
PubChem CID12654356
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(3-benzyltriazol-4-yl)methanol
SMILESOCc1cnnn1Cc1ccccc1
InChIInChI=1S/C10H11N3O/c14-8-10-6-11-12-13(10)7-9-4-2-1-3-5-9/h1-6,14H,7-8H2
InChIKeyJSYMAOLKRXCWTI-UHFFFAOYSA-N
XLogP0.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzyltriazol-4-yl)methanol?
The IUPAC name of (3-benzyltriazol-4-yl)methanol (CID 12654356) is (3-benzyltriazol-4-yl)methanol.
What is the SMILES notation for (3-benzyltriazol-4-yl)methanol?
The canonical SMILES for (3-benzyltriazol-4-yl)methanol is OCc1cnnn1Cc1ccccc1.
What is the InChIKey of (3-benzyltriazol-4-yl)methanol?
The InChIKey is JSYMAOLKRXCWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-8-10-6-11-12-13(10)7-9-4-2-1-3-5-9/h1-6,14H,7-8H2.
What are the key properties of (3-benzyltriazol-4-yl)methanol?
(3-benzyltriazol-4-yl)methanol has a molecular weight of 189.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyltriazol-4-yl)methanol is sourced from PubChem (CID 12654356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).