[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride

C10H11ClFN3O — CID 155821941

IUPAC[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
SMILESCc1c(CO)nnn1-c1ccccc1F.Cl
InChIInChI=1S/C10H10FN3O.ClH/c1-7-9(6-15)12-13-14(7)10-5-3-2-4-8(10)11;/h2-5,15H,6H2,1H3;1H
InChIKeyBYUABZIBHJHQGN-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.63
Rot. Bonds2

About [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride

[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride (PubChem CID 155821941) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
PubChem CID155821941
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
SMILESCc1c(CO)nnn1-c1ccccc1F.Cl
InChIInChI=1S/C10H10FN3O.ClH/c1-7-9(6-15)12-13-14(7)10-5-3-2-4-8(10)11;/h2-5,15H,6H2,1H3;1H
InChIKeyBYUABZIBHJHQGN-UHFFFAOYSA-N
XLogP1.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride?
The IUPAC name of [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride (CID 155821941) is [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride.
What is the SMILES notation for [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride?
The canonical SMILES for [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride is Cc1c(CO)nnn1-c1ccccc1F.Cl.
What is the InChIKey of [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride?
The InChIKey is BYUABZIBHJHQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O.ClH/c1-7-9(6-15)12-13-14(7)10-5-3-2-4-8(10)11;/h2-5,15H,6H2,1H3;1H.
What are the key properties of [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride?
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride has a molecular weight of 243.67 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride is sourced from PubChem (CID 155821941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).