[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol

C17H17N3O — CID 82203213

IUPAC[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-13-7-9-14(10-8-13)11-20-17(16(12-21)18-19-20)15-5-3-2-4-6-15/h2-10,21H,11-12H2,1H3
InChIKeyMNZQZHSRJQGOQS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.79
Rot. Bonds4

About [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol

[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol (PubChem CID 82203213) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
PubChem CID82203213
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2-c2ccccc2)cc1
InChIInChI=1S/C17H17N3O/c1-13-7-9-14(10-8-13)11-20-17(16(12-21)18-19-20)15-5-3-2-4-6-15/h2-10,21H,11-12H2,1H3
InChIKeyMNZQZHSRJQGOQS-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol?
The IUPAC name of [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol (CID 82203213) is [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol?
The canonical SMILES for [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol is Cc1ccc(Cn2nnc(CO)c2-c2ccccc2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol?
The InChIKey is MNZQZHSRJQGOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-7-9-14(10-8-13)11-20-17(16(12-21)18-19-20)15-5-3-2-4-6-15/h2-10,21H,11-12H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol?
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol has a molecular weight of 279.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 82203213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).