[1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C15H14FN3OS — CID 82203538

IUPAC[1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccc(F)cc2)c1Cc1cccs1
InChIInChI=1S/C15H14FN3OS/c16-12-5-3-11(4-6-12)9-19-15(14(10-20)17-18-19)8-13-2-1-7-21-13/h1-7,20H,8-10H2
InChIKeyDBJUCFAEFHBYDY-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.61
Rot. Bonds5

About [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82203538) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82203538
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name[1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccc(F)cc2)c1Cc1cccs1
InChIInChI=1S/C15H14FN3OS/c16-12-5-3-11(4-6-12)9-19-15(14(10-20)17-18-19)8-13-2-1-7-21-13/h1-7,20H,8-10H2
InChIKeyDBJUCFAEFHBYDY-UHFFFAOYSA-N
XLogP2.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-{1-[(3-methyl-2-thienyl)methyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)(phenyl)methanol
CID 45222910
[1-(2-Fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82196478
[1-(2-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82196504
[1-(4-Fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82196762
[1-(4-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82196792
[1-(3-Fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82197032
[1-(3-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82197062
[1-[(4-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82203514
[1-[(2-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82203916
[1-[(2-Fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82203937
[1-[(3-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82211773
[1-[(3-Fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82211797

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82203538) is [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is OCc1nnn(Cc2ccc(F)cc2)c1Cc1cccs1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is DBJUCFAEFHBYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-12-5-3-11(4-6-12)9-19-15(14(10-20)17-18-19)8-13-2-1-7-21-13/h1-7,20H,8-10H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 303.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82203538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).