(1-benzyltriazol-4-yl)-(4-methylphenyl)methanol

C17H17N3O — CID 134133928

IUPAC(1-benzyltriazol-4-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N3O/c1-13-7-9-15(10-8-13)17(21)16-12-20(19-18-16)11-14-5-3-2-4-6-14/h2-10,12,17,21H,11H2,1H3
InChIKeyHSXGQTSPOJUUSD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.72
Rot. Bonds4

About (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol

(1-benzyltriazol-4-yl)-(4-methylphenyl)methanol (PubChem CID 134133928) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-(4-methylphenyl)methanol
PubChem CID134133928
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(1-benzyltriazol-4-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C17H17N3O/c1-13-7-9-15(10-8-13)17(21)16-12-20(19-18-16)11-14-5-3-2-4-6-14/h2-10,12,17,21H,11H2,1H3
InChIKeyHSXGQTSPOJUUSD-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-1H-1,2,3-triazol-4-yl)methanol
CID 11651290
[4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]methanol
CID 89943645
[4-[4-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]phenyl]phenyl]methanol
CID 89943769
1-(1-benzyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 71671583
1-{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176207
2-[(4-Benzyltriazol-1-yl)methyl]phenol
CID 11437030
4-(4-Pentylphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793725
(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
CID 56835179
1-(1-Benzyltriazol-4-yl)cyclohexan-1-ol
CID 651657
1-(1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 75176209
4-Phenyl-1-(3-phenylmethoxypropyl)triazole
CID 24789348
(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)piperidin-3-ol
CID 46902516

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol?
The IUPAC name of (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol (CID 134133928) is (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol?
The InChIKey is HSXGQTSPOJUUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-7-9-15(10-8-13)17(21)16-12-20(19-18-16)11-14-5-3-2-4-6-14/h2-10,12,17,21H,11H2,1H3.
What are the key properties of (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol?
(1-benzyltriazol-4-yl)-(4-methylphenyl)methanol has a molecular weight of 279.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 134133928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).