[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol

C15H13FN4O — CID 82211803

IUPAC[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccc(F)c2)c1-c1cccnc1
InChIInChI=1S/C15H13FN4O/c16-13-5-1-3-11(7-13)9-20-15(14(10-21)18-19-20)12-4-2-6-17-8-12/h1-8,21H,9-10H2
InChIKeySDDBAEFUDCPJBA-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.02
Rot. Bonds4

About [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol

[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol (PubChem CID 82211803) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
PubChem CID82211803
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2cccc(F)c2)c1-c1cccnc1
InChIInChI=1S/C15H13FN4O/c16-13-5-1-3-11(7-13)9-20-15(14(10-21)18-19-20)12-4-2-6-17-8-12/h1-8,21H,9-10H2
InChIKeySDDBAEFUDCPJBA-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanamine
CID 82211840
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
CID 82208683
[5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazol-4-yl]methanol
CID 82211758
[5-(3-fluorophenyl)-1-[(2-methylphenyl)methyl]triazol-4-yl]methanol
CID 82204046
(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82206041
[1-[(3-chlorophenyl)methyl]-5-(3-methylphenyl)triazol-4-yl]methanol
CID 94943378
[5-iodo-1-(pyridin-3-ylmethyl)triazol-4-yl]methanol
CID 125478317
1-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carbonitrile
CID 82203545
1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazole-4-carbonitrile
CID 94946362
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol?
The IUPAC name of [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol (CID 82211803) is [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol is OCc1nnn(Cc2cccc(F)c2)c1-c1cccnc1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol?
The InChIKey is SDDBAEFUDCPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-13-5-1-3-11(7-13)9-20-15(14(10-21)18-19-20)12-4-2-6-17-8-12/h1-8,21H,9-10H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol?
[1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol has a molecular weight of 284.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol is sourced from PubChem (CID 82211803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).