[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol

C16H16N4O — CID 110006513

IUPAC[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(-n3nccn3)cc2)cc1
InChIInChI=1S/C16H16N4O/c21-12-14-3-1-13(2-4-14)11-17-15-5-7-16(8-6-15)20-18-9-10-19-20/h1-10,17,21H,11-12H2
InChIKeyIQESAZDGUMOYFU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.37
Rot. Bonds5

About [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol

[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol (PubChem CID 110006513) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol
PubChem CID110006513
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(-n3nccn3)cc2)cc1
InChIInChI=1S/C16H16N4O/c21-12-14-3-1-13(2-4-14)11-17-15-5-7-16(8-6-15)20-18-9-10-19-20/h1-10,17,21H,11-12H2
InChIKeyIQESAZDGUMOYFU-UHFFFAOYSA-N
XLogP2.37
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol (CID 110006513) is [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol is OCc1ccc(CNc2ccc(-n3nccn3)cc2)cc1.
What is the InChIKey of [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol?
The InChIKey is IQESAZDGUMOYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-12-14-3-1-13(2-4-14)11-17-15-5-7-16(8-6-15)20-18-9-10-19-20/h1-10,17,21H,11-12H2.
What are the key properties of [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol?
[4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol has a molecular weight of 280.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(triazol-2-yl)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 110006513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).