[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol

C16H13F2N3O — CID 56769489

IUPAC[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccccc1-n1nnc(CO)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2N3O/c1-10-4-2-3-5-15(10)21-16(14(9-22)19-20-21)11-6-12(17)8-13(18)7-11/h2-8,22H,9H2,1H3
InChIKeyCOGBUKOTDKHDLC-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.01
Rot. Bonds3

About [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol

[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol (PubChem CID 56769489) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
PubChem CID56769489
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccccc1-n1nnc(CO)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C16H13F2N3O/c1-10-4-2-3-5-15(10)21-16(14(9-22)19-20-21)11-6-12(17)8-13(18)7-11/h2-8,22H,9H2,1H3
InChIKeyCOGBUKOTDKHDLC-UHFFFAOYSA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol (CID 56769489) is [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol is Cc1ccccc1-n1nnc(CO)c1-c1cc(F)cc(F)c1.
What is the InChIKey of [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol?
The InChIKey is COGBUKOTDKHDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c1-10-4-2-3-5-15(10)21-16(14(9-22)19-20-21)11-6-12(17)8-13(18)7-11/h2-8,22H,9H2,1H3.
What are the key properties of [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol?
[5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol has a molecular weight of 301.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-difluorophenyl)-1-(2-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 56769489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).