[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol

C11H13N3O — CID 24786458

IUPAC[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
SMILESCc1cccc(Cn2cc(CO)nn2)c1
InChIInChI=1S/C11H13N3O/c1-9-3-2-4-10(5-9)6-14-7-11(8-15)12-13-14/h2-5,7,15H,6,8H2,1H3
InChIKeyDCPVDVIBCNSKJA-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.13
Rot. Bonds3

About [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol

[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol (PubChem CID 24786458) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
PubChem CID24786458
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
SMILESCc1cccc(Cn2cc(CO)nn2)c1
InChIInChI=1S/C11H13N3O/c1-9-3-2-4-10(5-9)6-14-7-11(8-15)12-13-14/h2-5,7,15H,6,8H2,1H3
InChIKeyDCPVDVIBCNSKJA-UHFFFAOYSA-N
XLogP1.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3-aminophenyl)methyl]triazol-4-yl]methanol
CID 67516075
1-[(3-methylphenyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]triazole
CID 166251290
1-[[1-[(3-fluorophenyl)methyl]triazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 155804078
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol
CID 62402022
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
3-[4-[[(3-methylphenyl)methylamino]methyl]triazol-1-yl]propan-1-ol
CID 66269485
(2S)-3-[(3-methylphenyl)methyl]-2-[1-[(3-methylphenyl)methyl]triazol-4-yl]-1,3-oxazolidine
CID 99966663
N-ethyl-2-[4-(hydroxymethyl)triazol-1-yl]-N-(3-methylphenyl)acetamide
CID 82202096
4-(4-ethoxyphenyl)-1-[(3-methylphenyl)methyl]triazole
CID 132549186
[1-[(5-amino-2-methylphenyl)methyl]triazol-4-yl]methanol
CID 91087646
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62401112

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol (CID 24786458) is [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol is Cc1cccc(Cn2cc(CO)nn2)c1.
What is the InChIKey of [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol?
The InChIKey is DCPVDVIBCNSKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-3-2-4-10(5-9)6-14-7-11(8-15)12-13-14/h2-5,7,15H,6,8H2,1H3.
What are the key properties of [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol?
[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methylphenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 24786458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).