[5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol

C10H9F2N3O — CID 90021444

IUPAC[5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(F)c(F)c2)c1CO
InChIInChI=1S/C10H9F2N3O/c1-15-9(5-16)10(13-14-15)6-2-3-7(11)8(12)4-6/h2-4,16H,5H2,1H3
InChIKeyFXTXKQMMQVIXCG-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.25
Rot. Bonds2

About [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol

[5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol (PubChem CID 90021444) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol
PubChem CID90021444
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name[5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(F)c(F)c2)c1CO
InChIInChI=1S/C10H9F2N3O/c1-15-9(5-16)10(13-14-15)6-2-3-7(11)8(12)4-6/h2-4,16H,5H2,1H3
InChIKeyFXTXKQMMQVIXCG-UHFFFAOYSA-N
XLogP1.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol?
The IUPAC name of [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol (CID 90021444) is [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol is Cn1nnc(-c2ccc(F)c(F)c2)c1CO.
What is the InChIKey of [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol?
The InChIKey is FXTXKQMMQVIXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-15-9(5-16)10(13-14-15)6-2-3-7(11)8(12)4-6/h2-4,16H,5H2,1H3.
What are the key properties of [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol?
[5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol has a molecular weight of 225.20 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-3-methyltriazol-4-yl]methanol is sourced from PubChem (CID 90021444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).