[1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol

C17H17N3O — CID 90225482

IUPAC[1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(-c2ccc(Cn3cnc(CO)n3)cc2)cc1
InChIInChI=1S/C17H17N3O/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-20-12-18-17(11-21)19-20/h2-9,12,21H,10-11H2,1H3
InChIKeyCVTQCJIRVLOXEZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.79
Rot. Bonds4

About [1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol

[1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 90225482) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is [1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID90225482
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name[1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(-c2ccc(Cn3cnc(CO)n3)cc2)cc1
InChIInChI=1S/C17H17N3O/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-20-12-18-17(11-21)19-20/h2-9,12,21H,10-11H2,1H3
InChIKeyCVTQCJIRVLOXEZ-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-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol (CID 90225482) is [1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol is Cc1ccc(-c2ccc(Cn3cnc(CO)n3)cc2)cc1.
What is the InChIKey of [1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is CVTQCJIRVLOXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-2-6-15(7-3-13)16-8-4-14(5-9-16)10-20-12-18-17(11-21)19-20/h2-9,12,21H,10-11H2,1H3.
What are the key properties of [1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol?
[1-[[4-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-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-(4-methylphenyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 90225482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).