[1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol

C12H13N3O — CID 121200083

IUPAC[1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol
SMILESC=Cc1ccc(Cn2cc(CO)nn2)cc1
InChIInChI=1S/C12H13N3O/c1-2-10-3-5-11(6-4-10)7-15-8-12(9-16)13-14-15/h2-6,8,16H,1,7,9H2
InChIKeySVABIFDRYRWNMW-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.46
Rot. Bonds4

About [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol

[1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol (PubChem CID 121200083) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol
PubChem CID121200083
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol
SMILESC=Cc1ccc(Cn2cc(CO)nn2)cc1
InChIInChI=1S/C12H13N3O/c1-2-10-3-5-11(6-4-10)7-15-8-12(9-16)13-14-15/h2-6,8,16H,1,7,9H2
InChIKeySVABIFDRYRWNMW-UHFFFAOYSA-N
XLogP1.46
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol (CID 121200083) is [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol is C=Cc1ccc(Cn2cc(CO)nn2)cc1.
What is the InChIKey of [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol?
The InChIKey is SVABIFDRYRWNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-10-3-5-11(6-4-10)7-15-8-12(9-16)13-14-15/h2-6,8,16H,1,7,9H2.
What are the key properties of [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol?
[1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol has a molecular weight of 215.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-ethenylphenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 121200083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).