[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

C10H9ClFN3O — CID 82878332

IUPAC[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H9ClFN3O/c1-15-9(5-16)13-14-10(15)6-2-3-8(12)7(11)4-6/h2-4,16H,5H2,1H3
InChIKeyOBTUCXCCTWJAPT-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.77
Rot. Bonds2

About [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol

[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 82878332) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID82878332
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H9ClFN3O/c1-15-9(5-16)13-14-10(15)6-2-3-8(12)7(11)4-6/h2-4,16H,5H2,1H3
InChIKeyOBTUCXCCTWJAPT-UHFFFAOYSA-N
XLogP1.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol (CID 82878332) is [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is OBTUCXCCTWJAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-9(5-16)13-14-10(15)6-2-3-8(12)7(11)4-6/h2-4,16H,5H2,1H3.
What are the key properties of [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 241.65 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 82878332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).