(1-benzyltriazol-4-yl)methanol

C10H11N3O — CID 11651290

IUPAC(1-benzyltriazol-4-yl)methanol
SMILESOCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C10H11N3O/c14-8-10-7-13(12-11-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2
InChIKeySXNXKULRKDCYLM-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.82
Rot. Bonds3

About (1-benzyltriazol-4-yl)methanol

(1-benzyltriazol-4-yl)methanol (PubChem CID 11651290) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)methanol
PubChem CID11651290
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(1-benzyltriazol-4-yl)methanol
SMILESOCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C10H11N3O/c14-8-10-7-13(12-11-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2
InChIKeySXNXKULRKDCYLM-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 (1-benzyltriazol-4-yl)methanol?
The IUPAC name of (1-benzyltriazol-4-yl)methanol (CID 11651290) is (1-benzyltriazol-4-yl)methanol.
What is the SMILES notation for (1-benzyltriazol-4-yl)methanol?
The canonical SMILES for (1-benzyltriazol-4-yl)methanol is OCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of (1-benzyltriazol-4-yl)methanol?
The InChIKey is SXNXKULRKDCYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-8-10-7-13(12-11-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2.
What are the key properties of (1-benzyltriazol-4-yl)methanol?
(1-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 (1-benzyltriazol-4-yl)methanol is sourced from PubChem (CID 11651290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).