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

C11H11F2N3O — CID 113301765

IUPAC[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1Cc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3O/c1-16-10(14-15-11(16)6-17)4-7-2-3-8(12)5-9(7)13/h2-3,5,17H,4,6H2,1H3
InChIKeyPNDVMCZGCOFGAV-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.18
Rot. Bonds3

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

[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 113301765) has the molecular formula C11H11F2N3O and a molecular weight of 239.22 g/mol. Its IUPAC name is [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID113301765
Molecular FormulaC11H11F2N3O
Molecular Weight239.22 g/mol
Exact Mass239.09
IUPAC Name[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1Cc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3O/c1-16-10(14-15-11(16)6-17)4-7-2-3-8(12)5-9(7)13/h2-3,5,17H,4,6H2,1H3
InChIKeyPNDVMCZGCOFGAV-UHFFFAOYSA-N
XLogP1.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 113301765) is [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1Cc1ccc(F)cc1F.
What is the InChIKey of [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is PNDVMCZGCOFGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-10(14-15-11(16)6-17)4-7-2-3-8(12)5-9(7)13/h2-3,5,17H,4,6H2,1H3.
What are the key properties of [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 239.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 113301765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).